data_6y07_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 6y07 _Structure_validation_residue.Date_analyzed 2020-03-13 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 ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.45 0.167 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.54 0.21 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.648 0.261 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.563 0.22 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.569 0.223 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.367 0.127 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.318 0.104 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.495 0.188 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.414 0.15 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 7.2 tt . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -91.25 138.4 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -57.97 141.52 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.581 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -159.1 164.08 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.822 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -60.42 -43.91 96.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.844 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.65 -33.56 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.703 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.37 -50.69 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.68 -45.02 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 pt -75.08 -33.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.65 -42.78 99.8 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.836 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -95.56 10.91 34.97 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -93.35 125.5 37.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -113.02 118.13 33.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.284 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.13 178.79 15.79 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -84.31 94.13 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 CA-C-N 119.164 1.482 . . . . 0.0 112.768 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.3 m -80.76 132.61 35.54 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -79.02 138.24 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.892 0.377 . . . . 0.0 110.784 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -35.05 70.1 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -64.0 -42.8 97.06 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.14 -47.06 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.15 -47.78 89.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -41.2 98.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.503 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -55.43 -45.04 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.749 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.86 -41.8 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.226 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.49 -40.1 93.34 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.175 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.668 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.92 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -67.72 -35.55 78.97 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.257 179.25 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -139.49 158.96 43.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.317 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -122.5 143.81 49.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.306 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -66.15 -35.24 79.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.717 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.75 -42.37 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.252 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.91 -41.15 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.767 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.9 -41.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -49.39 72.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 tp -60.88 -27.97 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -61.12 -52.1 66.31 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.556 0.693 . . . . 0.0 109.918 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -68.06 -40.8 82.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -69.72 -51.19 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.856 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -109.37 21.06 17.54 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.03 52.36 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.75 -31.84 0.99 Allowed 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.501 1.467 . . . . 0.0 112.736 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 m -117.78 126.92 53.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -158.33 160.27 36.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.06 -39.97 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.278 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.06 -40.71 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.752 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -54.9 -46.24 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.956 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.16 -28.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.868 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.07 -33.92 75.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.774 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.66 -44.33 85.61 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.151 -176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.4 pt -76.9 -22.84 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.54 -31.18 57.44 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -143.77 -44.44 0.27 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt -68.14 -35.97 73.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -69.88 -34.24 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -107.29 151.34 25.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.049 173.407 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.2 p -84.08 158.34 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -131.52 130.22 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.228 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -64.52 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -54.32 -47.43 72.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.527 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.41 -43.86 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm -56.25 -35.28 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.512 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.5 tp -58.66 -42.26 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -67.88 -44.32 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.443 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -60.27 -45.35 93.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.433 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.17 -39.13 60.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.724 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -75.47 -67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.777 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -98.32 -74.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.969 -172.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.79 166.38 39.35 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.79 -37.34 98.23 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.308 1.339 . . . . 0.0 112.141 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.0 p -105.33 142.46 35.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 110.788 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.5 m -154.53 155.83 35.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.72 -35.09 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.459 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.5 -39.32 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.19 -57.87 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 tp -54.17 -34.89 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.433 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.11 -43.11 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.411 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.08 -39.37 93.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.544 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.6 pt -63.97 -30.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -32.65 72.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -150.83 -36.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt -69.43 -36.72 73.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.563 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -100.38 142.91 31.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.511 . . . . 0.0 111.8 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.078 174.226 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 p -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -60.62 -38.5 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.381 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.22 -35.26 75.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.628 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -56.78 -46.83 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -172.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.37 -51.92 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.074 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -57.41 -39.95 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.61 -45.66 74.81 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.78 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -58.79 -37.19 75.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.223 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.88 -60.13 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.568 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -59.35 -41.77 89.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.626 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -78.68 -69.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.864 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.33 -174.53 23.29 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.986 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -60.62 -12.98 23.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 121.587 1.524 . . . . 0.0 113.715 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -90.87 22.11 3.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 t -85.99 -2.67 58.52 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.872 0.694 . . . . 0.0 112.872 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -51.33 -41.58 60.65 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.322 -171.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.512 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.07 -41.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.697 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.68 -40.59 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.082 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.64 -44.99 92.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.574 -175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -71.38 -33.0 69.13 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.9 -44.14 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -59.43 -39.46 83.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.92 -41.06 95.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.342 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.9 -40.27 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -80.83 -5.38 57.18 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 59.64 72.05 0.55 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.236 0.471 . . . . 0.0 110.446 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.024 178.544 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -132.44 139.17 47.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.63 0.252 . . . . 0.0 110.324 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -57.43 -41.29 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.308 -174.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -55.48 -39.63 70.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.792 0.329 . . . . 0.0 111.223 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.88 -48.69 57.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.696 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.21 -34.66 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.295 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm -56.41 -42.59 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.92 -40.3 95.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.17 -36.49 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -73.28 -39.54 65.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -92.12 6.18 47.51 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -96.23 122.02 38.64 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.295 0.498 . . . . 0.0 110.152 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -79.74 -37.34 35.73 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.168 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.05 152.91 52.9 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.045 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.67 126.79 22.29 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.376 1.384 . . . . 0.0 112.066 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.9 p -76.08 148.93 37.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -120.2 119.77 34.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.906 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -61.64 -32.52 72.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.13 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -50.64 -45.55 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.56 -31.79 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.641 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.57 -35.99 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.528 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.2 -34.5 18.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.57 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -60.63 -41.62 95.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.142 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.4 tp -65.78 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.457 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.28 -42.12 99.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.289 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.36 -38.61 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt -100.72 -0.42 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt 58.13 68.29 0.85 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 111.11 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -129.61 148.29 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.467 -178.471 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.068 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t -135.25 153.87 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -53.33 -37.32 62.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.608 -173.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.6 -40.88 88.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.851 0.357 . . . . 0.0 110.943 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -76.19 -29.46 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.5 mm -56.87 -54.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.534 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm -57.18 -44.04 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.863 -173.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.8 tp -64.95 -40.97 95.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 pt -71.64 -31.63 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.224 0.454 . . . . 0.0 112.224 -172.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.27 -46.6 22.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.997 0.427 . . . . 0.0 110.95 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -89.05 14.01 11.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -74.98 142.92 43.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 118.141 0.428 . . . . 0.0 110.944 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -90.46 147.01 23.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.312 0.577 . . . . 0.0 112.396 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.04 169.56 0.12 Allowed Glycine 0 CA--C 1.532 1.098 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.966 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -44.14 142.99 3.66 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.66 1.573 . . . . 0.0 112.978 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.69 154.01 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.383 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -79.64 129.12 34.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -69.39 -29.27 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.848 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.64 -46.71 70.62 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.96 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.618 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.2 mm -61.88 -38.03 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.491 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -72.9 -43.28 62.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.941 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -68.18 -38.25 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.1 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.5 tp -65.32 -34.97 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.165 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.15 -48.56 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.067 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.02 -36.47 79.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.915 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -13.65 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt 67.2 51.42 0.92 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.465 0.65 . . . . 0.0 111.002 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -103.2 167.01 10.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.762 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.466 -179.161 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.995 0.426 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -89.23 125.01 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -109.85 145.49 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.329 -173.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.33 165.71 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.14 -41.3 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.06 -43.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.063 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.89 -37.99 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.21 -31.97 72.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.68 -44.31 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.49 -55.62 25.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -62.68 -25.22 68.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.26 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 42.29 60.35 2.35 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.681 0.792 . . . . 0.0 112.568 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.65 154.14 20.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.013 171.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.2 -178.52 38.77 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.21 88.12 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 121.845 1.697 . . . . 0.0 111.322 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -73.49 133.75 43.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.47 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -141.92 147.04 36.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.322 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -55.38 -41.75 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -75.59 -24.97 56.62 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.86 -51.38 70.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.7 mm -54.11 -40.89 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -175.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.36 -41.05 98.81 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.093 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -65.48 -42.29 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.543 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.62 -50.72 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -38.83 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.663 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.34 -43.42 97.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.77 2.49 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 60.29 53.7 4.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.509 0.671 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -129.8 161.4 30.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.617 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -157.79 160.39 37.76 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.596 0.634 . . . . 0.0 111.386 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -61.71 -34.85 76.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.753 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -82.92 5.05 23.2 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -58.28 -42.6 86.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.137 0.426 . . . . 0.0 111.718 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.2 tt -59.45 -34.28 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.4 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt -61.42 -35.31 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.698 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.08 -43.0 99.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 pt -70.38 -25.67 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -59.67 -38.58 81.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.997 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -89.22 -31.88 17.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -83.07 138.84 33.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.449 . . . . 0.0 112.006 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.32 143.23 49.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.421 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.37 28.56 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.14 -39.51 2.15 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 CA-C-N 118.905 1.352 . . . . 0.0 112.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.6 p -100.49 -1.95 34.4 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 m -61.59 -33.53 74.05 Favored 'General case' 0 C--N 1.333 -0.116 0 O-C-N 121.996 -0.44 . . . . 0.0 112.029 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -47.54 -39.58 16.7 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.85 -39.29 64.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.74 -44.11 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.2 mm -53.9 -47.05 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.482 0.182 . . . . 0.0 110.984 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.76 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.106 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.01 -42.81 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 0.0 110.728 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 76.9 mt -68.51 -37.66 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.83 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.1 -53.03 62.71 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.29 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -62.08 -39.54 92.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.693 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt -104.56 6.03 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt 46.0 79.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -175.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -134.02 156.23 48.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.327 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.563 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -120.45 141.21 50.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.049 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -82.31 52.07 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.518 0.675 . . . . 0.0 110.863 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -83.22 141.74 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.527 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -54.11 -43.48 70.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.66 -50.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -42.29 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.73 -33.87 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -57.18 -47.98 79.87 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.536 176.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -93.18 22.11 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.45 124.53 21.55 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -119.61 -42.67 2.62 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.67 -177.51 27.93 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.41 169.03 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.514 1.476 . . . . 0.0 112.3 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.0 p -72.48 -32.96 66.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.366 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p 48.51 54.92 9.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.788 0.804 . . . . 0.0 110.487 -171.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.96 -42.14 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.595 -1.184 . . . . 0.0 113.087 -166.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -60.89 -49.23 78.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.501 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.32 -49.16 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.711 -171.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.8 mt -53.8 -39.65 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.559 0.219 . . . . 0.0 110.813 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.75 -39.32 91.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.599 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -68.11 -38.26 82.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.97 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.1 mm -56.97 -46.66 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.93 -40.82 87.71 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.09 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.59 -50.51 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt -71.77 -27.11 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -57.47 -48.07 80.17 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.773 0.321 . . . . 0.0 111.294 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.08 -36.03 78.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.588 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.908 -174.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -128.24 162.2 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -105.3 125.39 50.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.26 153.71 8.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.198 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -62.22 -44.56 96.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tt -56.99 -33.06 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.549 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.82 -41.23 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp -52.9 -62.41 1.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 pt -55.46 -33.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.612 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -66.48 -41.13 89.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 111.222 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.78 15.67 24.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -171.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -84.16 105.43 15.01 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.786 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -61.36 -35.8 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.76 -179.14 31.62 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.23 137.56 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.55 1.5 . . . . 0.0 112.386 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 p -69.23 136.4 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.11 85.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.344 0.592 . . . . 0.0 109.87 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -50.75 -39.32 51.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.889 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -64.76 -46.19 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.536 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.3 mm -74.07 -38.11 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.45 -42.61 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.64 -41.79 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.15 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -58.36 -36.08 72.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.252 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.1 mm -61.21 -47.66 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.555 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -100.97 -5.66 25.58 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.23 -41.49 89.97 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.522 162.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.71 -37.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -99.55 21.37 12.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -128.04 17.77 6.66 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.314 176.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.925 0.393 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -132.45 154.18 50.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.954 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -84.22 104.9 14.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 111.651 -174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.27 136.46 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.376 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -55.98 -46.97 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.636 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 tt -62.76 -37.81 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.76 -42.48 92.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.99 -42.23 97.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.17 -49.78 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -55.18 -43.53 74.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.123 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -87.76 -0.16 56.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 56.37 46.53 20.75 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.938 -0.476 . . . . 0.0 111.592 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -84.75 119.58 25.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.9 148.79 20.36 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.24 114.75 2.97 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 119.337 1.569 . . . . 0.0 112.065 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.2 p -65.44 -32.29 73.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.705 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -68.71 -6.05 23.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -64.08 152.97 38.95 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.287 0.565 . . . . 0.0 111.549 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.66 -53.32 40.1 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.1 tt -62.35 -26.18 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -168.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 85' ' ' ILE . 43.4 mm -57.43 -46.28 85.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.936 -177.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.92 -36.13 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.247 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -59.84 -35.28 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.234 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.8 mm -60.27 -50.48 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -65.4 -44.76 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.173 -172.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -62.98 -42.54 99.87 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.776 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.37 -41.58 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -65.41 -40.61 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.263 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -110.31 30.06 7.11 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -172.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.589 174.739 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.053 0.454 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -131.45 158.34 41.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.535 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -85.84 119.73 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -165.33 159.78 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.726 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.78 -39.42 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.514 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.56 -30.62 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.11 -39.73 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -71.54 -43.69 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.357 0.598 . . . . 0.0 110.399 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.25 -51.63 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.897 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -101.49 35.12 2.37 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.319 174.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 10.95 80.02 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.304 1.842 . . . . 0.0 115.815 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -105.09 137.54 42.69 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 167.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.69 -171.36 7.12 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -67.64 118.26 5.47 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.409 1.406 . . . . 0.0 112.165 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -65.72 -36.99 85.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.9 t -116.46 133.87 55.51 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -169.71 167.7 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.3 -45.17 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.648 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.61 -49.36 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.9 mm -53.38 -46.8 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.687 0.28 . . . . 0.0 111.142 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.98 -40.78 91.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.663 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.4 -37.06 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.321 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.05 -53.04 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -56.98 -36.04 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -173.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -56.91 -42.61 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.47 -42.41 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -60.39 -39.18 86.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -65.97 -26.13 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.378 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.713 0.292 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -62.55 144.74 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -72.32 141.03 48.83 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.67 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.19 147.72 25.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.431 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.68 -38.31 84.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.303 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mm -57.17 -51.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -63.65 -33.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.749 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.63 -47.7 68.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.97 -43.01 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.581 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -58.81 -40.37 83.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.518 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.46 -1.48 57.54 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 62.54 44.24 7.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.157 0.503 . . . . 0.0 111.916 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.07 -2.26 56.75 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.56 177.78 16.44 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.41 142.82 41.67 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 CA-C-N 118.943 1.371 . . . . 0.0 111.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.1 p -59.32 -40.36 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.77 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 t -157.31 129.58 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.954 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -154.37 163.83 39.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.219 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -65.48 -38.12 88.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mm -58.8 -51.45 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.268 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -59.82 -32.16 49.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.819 -170.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.671 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.31 -43.35 99.02 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -62.58 -39.2 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.912 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.52 -50.69 72.85 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.504 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -65.9 -35.47 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.894 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.76 -40.84 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -66.71 -40.73 88.58 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.54 86.08 2.35 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.115 0.484 . . . . 0.0 110.629 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 117.875 -1.059 . . . . 0.0 109.864 172.409 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -133.44 148.24 51.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.598 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -82.36 115.77 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -152.17 153.2 33.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.761 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.68 -40.73 84.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.162 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 tp -67.36 -47.62 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.454 -175.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.53 -44.96 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.888 -174.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.12 -44.66 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.19 -46.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.69 -40.5 88.07 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.574 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.22 6.21 34.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 67.14 20.16 10.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -75.83 -35.59 59.93 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.642 0.258 . . . . 0.0 111.308 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.8 164.41 39.07 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -91.09 104.86 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 122.057 1.838 . . . . 0.0 111.055 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p -69.53 159.81 32.64 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.519 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.1 m 63.66 6.03 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.95 118.58 37.24 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -67.46 -9.25 40.15 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 tp -57.19 -35.94 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.257 0.48 . . . . 0.0 110.553 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.09 -41.31 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.03 -37.31 86.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.827 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.89 -40.39 91.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.266 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -49.24 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -57.34 -41.72 80.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -58.15 -51.34 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm -74.8 -34.67 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -67.2 -13.02 61.57 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -123.17 42.22 3.26 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.065 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.431 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -132.33 143.36 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -132.64 148.79 52.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.336 0.589 . . . . 0.0 111.916 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.85 166.03 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.744 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -57.84 -42.85 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.511 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.23 -38.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.715 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.5 -38.24 55.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.795 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.29 -42.36 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.5 pt -86.29 -32.99 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.631 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.37 -43.1 98.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.754 0.312 . . . . 0.0 110.272 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -83.1 12.83 4.61 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 38.4 29.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -81.52 -50.58 9.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.58 175.3 7.5 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 174.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.09 141.76 84.59 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 CA-C-N 118.992 1.396 . . . . 0.0 112.124 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.0 p -60.12 -41.08 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -149.91 133.36 16.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.735 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.38 147.25 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.06 -24.43 28.13 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.39 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -56.3 -38.04 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.648 0.261 . . . . 0.0 110.597 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.58 -41.56 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.005 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.08 -36.49 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.14 -46.09 90.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.088 0.47 . . . . 0.0 109.984 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mt -62.56 -34.0 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.871 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.37 -43.6 83.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.44 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -59.9 -42.52 94.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.207 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.54 -41.58 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -95.69 32.92 1.73 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.62 47.09 1.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.409 1.1 . . . . 0.0 108.281 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.368 -174.161 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tmm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.439 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -134.62 157.45 46.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.418 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -67.99 99.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.85 126.57 41.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.98 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.74 -36.42 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.671 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -54.27 -30.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.36 -48.39 88.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.76 -38.2 81.14 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.98 -46.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.142 0.496 . . . . 0.0 109.872 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -60.48 -37.3 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.539 -175.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -103.3 23.63 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.93 110.18 10.17 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.344 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -60.18 -43.14 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.33 -165.48 34.63 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 121.72 6.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.425 1.417 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -55.65 -36.09 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.087 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 m -116.35 143.93 44.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -168.7 168.42 10.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.61 -44.75 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.994 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.11 -45.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.0 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.088 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.16 -40.05 95.31 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.848 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.97 -32.95 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.836 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 pt -76.91 -27.75 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -85.91 -39.2 17.22 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.462 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -58.09 -37.78 75.16 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.384 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.61 -21.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.82 -38.42 55.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.91 9.52 30.1 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -171.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.576 -178.877 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -133.73 154.04 51.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.093 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -74.76 131.99 41.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.321 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -174.46 147.47 1.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.81 -45.17 95.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.5 -40.06 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.489 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.18 -41.58 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.101 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.95 -43.44 91.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.62 -26.65 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -73.11 -38.15 66.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 111.379 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -81.31 -26.32 35.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -103.26 -78.46 0.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -68.74 -38.83 80.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.749 0.309 . . . . 0.0 111.126 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.95 -169.35 12.87 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -78.93 8.23 3.89 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.336 1.357 . . . . 0.0 113.745 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 163.15 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -98.23 154.07 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -140.74 163.25 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -48.21 -51.36 25.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.399 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.0 tt -64.89 -35.11 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.601 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.64 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.229 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -56.36 -40.78 75.11 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.809 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -62.98 -40.7 98.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.232 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.34 -44.44 90.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.22 -43.32 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.435 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -61.74 -39.1 90.38 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.491 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.9 -23.99 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -59.57 -42.36 92.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -73.28 3.97 5.15 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 113.189 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.961 -179.282 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -77.44 163.85 26.0 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.447 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -99.75 -38.47 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -55.88 -38.41 70.12 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -172.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -83.25 134.98 34.92 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.966 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.09 -39.68 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.974 -174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.48 -56.53 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.1 -47.26 65.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -42.46 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.539 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -69.89 -34.51 73.63 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.357 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -55.61 -37.24 67.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.56 0.219 . . . . 0.0 110.632 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -84.26 18.42 2.19 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.1 mttt 69.25 53.57 0.44 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.21 171.92 38.42 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.191 165.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -66.09 147.07 83.68 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.492 1.461 . . . . 0.0 111.361 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -140.95 161.29 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.41 . . . . 0.0 111.284 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.1 t -81.66 11.16 4.99 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -56.53 141.19 43.79 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.907 -0.496 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.11 -53.16 60.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.169 -171.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.6 tt -64.53 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.548 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.49 -40.12 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.492 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.43 -39.68 80.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.584 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -64.74 -41.48 95.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.927 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.22 -48.34 88.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.439 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.4 -47.83 77.68 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.248 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -63.76 -39.99 95.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.889 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.0 -37.85 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -54.34 -37.64 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.987 -0.097 . . . . 0.0 111.09 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.72 -68.0 0.17 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.856 0.723 . . . . 0.0 111.046 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.43 -178.054 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.994 0.426 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -138.01 -179.41 5.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p 48.39 34.55 4.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.975 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -107.24 -14.15 14.97 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.56 154.04 30.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 111.486 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 tt -60.5 -39.68 82.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.826 -175.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp -56.83 -37.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.55 -37.69 77.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 92.2 mt -54.89 -36.36 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.49 -44.66 95.73 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.916 173.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -68.69 -42.14 78.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -88.9 -5.77 57.77 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 66.24 45.77 2.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 169.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.65 159.78 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.014 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.44 -37.21 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.379 1.386 . . . . 0.0 112.0 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.3 p -86.03 -9.11 57.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -79.75 -10.33 59.77 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.64 139.5 40.32 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.376 0.534 . . . . 0.0 110.768 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.209 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.61 -52.44 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.0 -39.19 79.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.92 -47.65 82.21 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.25 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.93 -38.78 92.38 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.742 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -42.59 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.14 -51.36 61.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.963 -174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -60.43 -41.05 93.2 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.032 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.39 -32.62 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.87 -38.5 78.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -88.91 8.75 27.76 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.55 178.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' OE1' ' A' ' 14' ' ' GLN . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.611 ' OE1' HG22 ' A' ' 10' ' ' ILE . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 17' ' ' ALA . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 HD21 ' A' ' 51' ' ' LEU . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HG11 ' A' ' 31' ' ' VAL . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 61' ' ' ILE . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 58' ' ' LEU . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.45 0.167 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 99' ' ' VAL . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 96' ' ' ARG . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 126' ' ' ILE . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 109' ' ' VAL . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 51' ' ' LEU . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 68' ' ' ALA . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 14' ' ' GLN . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 51' ' ' LEU . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 36' ' ' LYS . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' HG13 ' A' ' 39' ' ' VAL . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' LEU . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 54' ' ' ILE . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 51' ' ' LEU . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 136' ' ' LEU . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 58' ' ' LEU . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 147' ' ' ILE . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.54 0.21 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 39' ' ' VAL . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 34' ' ' ALA . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 147' ' ' ILE . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 150' ' ' LEU . 44.5 tp . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' A' ' 139' ' ' ILE . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' A' ' 95' ' ' ALA . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 69' ' ' ILE . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 72' ' ' LEU . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 17' ' ' ALA . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 137' ' ' ILE . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' LYS . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 47' ' ' LEU . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 44' ' ' LEU . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 129' ' ' LEU . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.821 HD13 HD23 ' A' ' 136' ' ' LEU . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.648 0.261 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 117' ' ' VAL . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 44' ' ' LEU . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 126' ' ' ILE . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 51' ' ' LEU . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.708 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.821 HD23 HD13 ' A' ' 58' ' ' LEU . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 134' ' ' GLU . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' ALA . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' ILE . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' ALA . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 109' ' ' VAL . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 105' ' ' ARG . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 72' ' ' LEU . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 17' ' ' ALA . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 51' ' ' LEU . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 HG11 ' A' ' 31' ' ' VAL . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' ILE . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 58' ' ' LEU . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 10' ' ' ILE . 35.8 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.563 0.22 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 139' ' ' ILE . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.44 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 ' HB ' HD21 ' A' ' 51' ' ' LEU . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 122' ' ' LEU . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 ' HB ' ' A' ' 31' ' ' VAL . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 24' ' ' MET . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 106' ' ' LEU . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' ND2' ' A' ' 66' ' ' ASN . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' A' ' 62' ' ' ILE . 12.4 m-20 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 HD12 ' A' ' 147' ' ' ILE . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 106' ' ' LEU . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 55' ' ' ILE . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 105' ' ' ARG . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 44' ' ' LEU . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 132' ' ' ILE . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 129' ' ' LEU . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 132' ' ' ILE . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 151' ' ' ILE . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 147' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' LYS . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.833 HD21 HD23 ' A' ' 122' ' ' LEU . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 126' ' ' ILE . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 136' ' ' LEU . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.442 HD12 HD13 ' A' ' 147' ' ' ILE . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.569 0.223 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 109' ' ' VAL . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 105' ' ' ARG . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' ALA . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.833 HD23 HD21 ' A' ' 44' ' ' LEU . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 126' ' ' ILE . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.554 HD12 HD23 ' A' ' 123' ' ' LEU . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 58' ' ' LEU . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.442 HD13 HD12 ' A' ' 69' ' ' ILE . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG11 HD21 ' A' ' 51' ' ' LEU . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 123' ' ' LEU . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 126' ' ' ILE . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 150' ' ' LEU . 40.6 tp . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' ALA . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 122' ' ' LEU . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 119' ' ' SER . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.45 HD12 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 51' ' ' LEU . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 28' ' ' LEU . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 72' ' ' LEU . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 27' ' ' LYS . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 37' ' ' ARG . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 56' ' ' THR . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 69' ' ' ILE . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 66' ' ' ASN . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 122' ' ' LEU . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 119' ' ' SER . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.574 ' CD1' HD21 ' A' ' 72' ' ' LEU . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD13 HD23 ' A' ' 136' ' ' LEU . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 17' ' ' ALA . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 10' ' ' ILE . 79.2 mt . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.367 0.127 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.592 HD23 HD13 ' A' ' 58' ' ' LEU . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' HG ' ' A' ' 136' ' ' LEU . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 143' ' ' SER . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' ALA . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 27' ' ' LYS . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 31' ' ' VAL . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 136' ' ' LEU . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 56' ' ' THR . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 99' ' ' VAL . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 109' ' ' VAL . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 105' ' ' ARG . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.758 HD23 HD13 ' A' ' 58' ' ' LEU . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 51' ' ' LEU . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 47' ' ' LEU . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 44' ' ' LEU . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 31' ' ' VAL . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 140' ' ' ILE . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.318 0.104 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 105' ' ' ARG . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 25' ' ' GLU . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.523 HG13 HD22 ' A' ' 58' ' ' LEU . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.495 0.188 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' A' ' 144' ' ' ASN . 28.7 mm100 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 49' ' ' LEU . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 46' ' ' ASN . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 129' ' ' LEU . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' LEU . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 95' ' ' ALA . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 62' ' ' ILE . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HB3' HG21 ' A' ' 62' ' ' ILE . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HB2' HD13 ' A' ' 136' ' ' LEU . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 95' ' ' ALA . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.621 ' HD2' HD11 ' A' ' 132' ' ' ILE . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 51' ' ' LEU . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.621 HD11 ' HD2' ' A' ' 105' ' ' ARG . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 54' ' ' ILE . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 98' ' ' LYS . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.403 ' OD1' ' NE2' ' A' ' 14' ' ' GLN . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.414 0.15 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 133' ' ' ILE . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG21 ' OE1' ' A' ' 103' ' ' GLU . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 59' ' ' ILE . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 61' ' ' ILE . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' THR . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 30.3 mm100 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' HG21 ' A' ' 55' ' ' ILE . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' A' ' 147' ' ' ILE . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 144' ' ' ASN . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.645 ' HA ' HD11 ' A' ' 151' ' ' ILE . 68.1 mt . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.424 HD12 ' HB1' ' A' ' 68' ' ' ALA . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' ALA . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD23 ' C ' ' A' ' 44' ' ' LEU . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 54' ' ' ILE . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 51' ' ' LEU . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 HD21 ' A' ' 66' ' ' ASN . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.435 HD21 HG22 ' A' ' 62' ' ' ILE . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 10' ' ' ILE . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 136' ' ' LEU . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 126' ' ' ILE . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 98' ' ' LYS . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 7' ' ' ILE . 7.2 tt . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.626 HG23 ' HB1' ' A' ' 68' ' ' ALA . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 133' ' ' ILE . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.626 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 105' ' ' ARG . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.626 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.626 HD13 ' CB ' ' A' ' 112' ' ' ALA . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 126' ' ' ILE . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.681 HD12 HD23 ' A' ' 123' ' ' LEU . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 54' ' ' ILE . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD21 HD23 ' A' ' 122' ' ' LEU . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.735 HD13 HD23 ' A' ' 129' ' ' LEU . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' LEU . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.518 HG22 HD21 ' A' ' 136' ' ' LEU . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 112' ' ' ALA . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.697 HD23 HD21 ' A' ' 44' ' ' LEU . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 51' ' ' LEU . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 99' ' ' VAL . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 151' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' OE1' ' A' ' 14' ' ' GLN . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' A' ' 10' ' ' ILE . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 17' ' ' ALA . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 54' ' ' ILE . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 47' ' ' LEU . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 44' ' ' LEU . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 27' ' ' LYS . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 140' ' ' ILE . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.636 HD13 HG11 ' A' ' 99' ' ' VAL . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 59' ' ' ILE . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.51 HD12 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -91.25 138.4 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -57.97 141.52 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.581 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -159.1 164.08 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.822 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -60.42 -43.91 96.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.844 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.754 HG23 HD12 ' A' ' 7' ' ' ILE . 7.2 tp -64.65 -33.56 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.703 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -57.37 -50.69 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' OE1' ' A' ' 14' ' ' GLN . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.611 ' OE1' HG22 ' A' ' 10' ' ' ILE . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 17' ' ' ALA . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 HD21 ' A' ' 51' ' ' LEU . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HG11 ' A' ' 31' ' ' VAL . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 61' ' ' ILE . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 58' ' ' LEU . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 88' ' ' ILE . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.68 -45.02 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 pt -75.08 -33.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.65 -42.78 99.8 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.836 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -95.56 10.91 34.97 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -93.35 125.5 37.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -113.02 118.13 33.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.284 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.13 178.79 15.79 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -84.31 94.13 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 CA-C-N 119.164 1.482 . . . . 0.0 112.768 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.3 m -80.76 132.61 35.54 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.431 ' HB2' HD13 ' A' ' 84' ' ' ILE . 18.3 m -79.02 138.24 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.892 0.377 . . . . 0.0 110.784 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -35.05 70.1 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -64.0 -42.8 97.06 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.647 HG21 HD13 ' A' ' 150' ' ' LEU . 3.9 mp -65.14 -47.06 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.15 -47.78 89.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -41.2 98.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.503 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -55.43 -45.04 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.749 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 69' ' ' ILE . 75.2 mt -64.86 -41.8 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.226 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.49 -40.1 93.34 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.175 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.668 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 99' ' ' VAL . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 96' ' ' ARG . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 126' ' ' ILE . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 109' ' ' VAL . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 51' ' ' LEU . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 84' ' ' ILE . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.92 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -67.72 -35.55 78.97 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.257 179.25 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -139.49 158.96 43.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.317 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -122.5 143.81 49.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.306 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -66.15 -35.24 79.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.717 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.75 -42.37 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.252 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.91 -41.15 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.767 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.9 -41.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 68' ' ' ALA . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 14' ' ' GLN . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 51' ' ' LEU . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 36' ' ' LYS . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' HG13 ' A' ' 39' ' ' VAL . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' LEU . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 54' ' ' ILE . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 51' ' ' LEU . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 136' ' ' LEU . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -49.39 72.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 tp -60.88 -27.97 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -61.12 -52.1 66.31 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.556 0.693 . . . . 0.0 109.918 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -68.06 -40.8 82.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -69.72 -51.19 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.856 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -109.37 21.06 17.54 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.03 52.36 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.75 -31.84 0.99 Allowed 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.501 1.467 . . . . 0.0 112.736 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 m -117.78 126.92 53.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -158.33 160.27 36.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.06 -39.97 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.278 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.06 -40.71 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.752 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -54.9 -46.24 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.956 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.16 -28.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.868 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.07 -33.92 75.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.774 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.66 -44.33 85.61 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.151 -176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.4 pt -76.9 -22.84 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.54 -31.18 57.44 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -143.77 -44.44 0.27 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 58' ' ' LEU . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 147' ' ' ILE . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt -68.14 -35.97 73.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -69.88 -34.24 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -107.29 151.34 25.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.049 173.407 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.2 p -84.08 158.34 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -131.52 130.22 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.228 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -64.52 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.464 ' CE1' ' NE2' ' A' ' 9' ' ' GLN . 16.0 t80 -54.32 -47.43 72.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.527 -177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 mp -70.41 -43.86 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm -56.25 -35.28 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.512 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' NE2' ' CE1' ' A' ' 5' ' ' TYR . 1.9 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 39' ' ' VAL . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 34' ' ' ALA . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 147' ' ' ILE . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 150' ' ' LEU . 44.5 tp -58.66 -42.26 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -67.88 -44.32 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.443 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -60.27 -45.35 93.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.433 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.17 -39.13 60.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.724 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -75.47 -67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.777 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -98.32 -74.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.969 -172.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.79 166.38 39.35 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.79 -37.34 98.23 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.308 1.339 . . . . 0.0 112.141 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.0 p -105.33 142.46 35.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 110.788 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.453 ' HB2' HD13 ' A' ' 84' ' ' ILE . 43.5 m -154.53 155.83 35.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.72 -35.09 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.459 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.5 -39.32 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 81' ' ' SER . 1.7 mp -58.19 -57.87 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 tp -54.17 -34.89 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.433 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.11 -43.11 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.411 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.08 -39.37 93.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.544 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.6 pt -63.97 -30.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -32.65 72.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -150.83 -36.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' A' ' 139' ' ' ILE . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' A' ' 95' ' ' ALA . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 69' ' ' ILE . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 72' ' ' LEU . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt -69.43 -36.72 73.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.563 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -100.38 142.91 31.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.511 . . . . 0.0 111.8 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.078 174.226 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 p -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -60.62 -38.5 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.381 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.22 -35.26 75.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.628 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -56.78 -46.83 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -172.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.37 -51.92 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.074 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.495 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.8 mp -57.41 -39.95 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -174.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 17' ' ' ALA . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 137' ' ' ILE . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' LYS . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 47' ' ' LEU . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 44' ' ' LEU . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 129' ' ' LEU . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.821 HD13 HD23 ' A' ' 136' ' ' LEU . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.61 -45.66 74.81 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.78 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -58.79 -37.19 75.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.223 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.88 -60.13 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.568 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -59.35 -41.77 89.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.626 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -78.68 -69.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.864 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.33 -174.53 23.29 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.986 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -60.62 -12.98 23.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 121.587 1.524 . . . . 0.0 113.715 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -90.87 22.11 3.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 t -85.99 -2.67 58.52 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.872 0.694 . . . . 0.0 112.872 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -51.33 -41.58 60.65 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.322 -171.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.512 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.07 -41.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.697 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.68 -40.59 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.082 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.64 -44.99 92.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.574 -175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -71.38 -33.0 69.13 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.9 -44.14 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -59.43 -39.46 83.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.92 -41.06 95.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.342 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 117' ' ' VAL . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 44' ' ' LEU . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 126' ' ' ILE . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 51' ' ' LEU . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.708 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.821 HD23 HD13 ' A' ' 58' ' ' LEU . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 134' ' ' GLU . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.9 -40.27 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -80.83 -5.38 57.18 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 59.64 72.05 0.55 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.236 0.471 . . . . 0.0 110.446 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.024 178.544 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' TYR . 9.2 t -132.44 139.17 47.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.63 0.252 . . . . 0.0 110.324 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -57.43 -41.29 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.308 -174.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -55.48 -39.63 70.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.792 0.329 . . . . 0.0 111.223 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' THR . 24.3 t80 -69.88 -48.69 57.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.696 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.21 -34.66 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.295 -175.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm -56.41 -42.59 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 9' ' ' GLN . 21.5 mm-40 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' ALA . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' ILE . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.92 -40.3 95.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.17 -36.49 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -73.28 -39.54 65.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 6' ' ' ILE . 70.1 m-80 -92.12 6.18 47.51 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -96.23 122.02 38.64 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.295 0.498 . . . . 0.0 110.152 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -79.74 -37.34 35.73 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.168 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.05 152.91 52.9 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.045 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.67 126.79 22.29 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.376 1.384 . . . . 0.0 112.066 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.9 p -76.08 148.93 37.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -120.2 119.77 34.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.906 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -61.64 -32.52 72.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.13 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -50.64 -45.55 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 84' ' ' ILE . 1.9 mp -76.56 -31.79 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.641 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.57 -35.99 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.528 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.2 -34.5 18.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.57 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -60.63 -41.62 95.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.142 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 146' ' ' ALA . 7.4 tp -65.78 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.457 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.28 -42.12 99.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.289 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.36 -38.61 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' ALA . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 109' ' ' VAL . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 105' ' ' ARG . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 88' ' ' ILE . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt -100.72 -0.42 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt 58.13 68.29 0.85 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 111.11 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -129.61 148.29 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.467 -178.471 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.068 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 5' ' ' TYR . 14.0 t -135.25 153.87 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -53.33 -37.32 62.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.608 -173.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.6 -40.88 88.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.851 0.357 . . . . 0.0 110.943 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 2' ' ' THR . 15.0 m-30 -76.19 -29.46 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.5 mm -56.87 -54.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.534 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm -57.18 -44.04 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.863 -173.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 72' ' ' LEU . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 17' ' ' ALA . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 51' ' ' LEU . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 HG11 ' A' ' 31' ' ' VAL . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' ILE . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 58' ' ' LEU . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' ILE . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 10' ' ' ILE . 35.8 tp -64.95 -40.97 95.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 44.7 pt -71.64 -31.63 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.224 0.454 . . . . 0.0 112.224 -172.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.27 -46.6 22.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.997 0.427 . . . . 0.0 110.95 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -89.05 14.01 11.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -74.98 142.92 43.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 118.141 0.428 . . . . 0.0 110.944 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -90.46 147.01 23.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.312 0.577 . . . . 0.0 112.396 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.04 169.56 0.12 Allowed Glycine 0 CA--C 1.532 1.098 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.966 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -44.14 142.99 3.66 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.66 1.573 . . . . 0.0 112.978 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.69 154.01 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.383 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -79.64 129.12 34.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -69.39 -29.27 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.848 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.64 -46.71 70.62 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 146' ' ' ALA . 45.6 mm -64.96 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.618 -177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.2 mm -61.88 -38.03 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.491 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -72.9 -43.28 62.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.941 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -68.18 -38.25 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.1 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.5 tp -65.32 -34.97 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.165 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.15 -48.56 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.067 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.02 -36.47 79.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.915 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 139' ' ' ILE . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 84' ' ' ILE . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -13.65 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt 67.2 51.42 0.92 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.465 0.65 . . . . 0.0 111.002 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -103.2 167.01 10.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.762 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.466 -179.161 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.995 0.426 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 2' ' ' THR . 9.2 t -89.23 125.01 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -109.85 145.49 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.329 -173.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.33 165.71 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.14 -41.3 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.06 -43.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.063 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.89 -37.99 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.44 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.541 ' HB ' HD21 ' A' ' 51' ' ' LEU . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 122' ' ' LEU . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 ' HB ' ' A' ' 31' ' ' VAL . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 24' ' ' MET . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 106' ' ' LEU . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' ND2' ' A' ' 66' ' ' ASN . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HG22 ' A' ' 62' ' ' ILE . 12.4 m-20 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 HD12 ' A' ' 147' ' ' ILE . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.21 -31.97 72.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.68 -44.31 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.49 -55.62 25.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -62.68 -25.22 68.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.26 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 42.29 60.35 2.35 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.681 0.792 . . . . 0.0 112.568 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.65 154.14 20.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.013 171.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.2 -178.52 38.77 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.21 88.12 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 121.845 1.697 . . . . 0.0 111.322 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -73.49 133.75 43.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.47 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' ILE . 10.2 m -141.92 147.04 36.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.322 174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -55.38 -41.75 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -75.59 -24.97 56.62 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 81' ' ' SER . 1.7 mp -63.86 -51.38 70.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 173.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.7 mm -54.11 -40.89 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -175.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.36 -41.05 98.81 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.093 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -65.48 -42.29 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.543 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 150' ' ' LEU . 1.6 mp -58.62 -50.72 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -38.83 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.663 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.34 -43.42 97.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 106' ' ' LEU . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 55' ' ' ILE . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 105' ' ' ARG . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 44' ' ' LEU . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 132' ' ' ILE . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 129' ' ' LEU . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 132' ' ' ILE . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 151' ' ' ILE . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 147' ' ' ILE . 0.2 OUTLIER -116.77 2.49 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 60.29 53.7 4.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.509 0.671 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -129.8 161.4 30.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.617 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -157.79 160.39 37.76 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.596 0.634 . . . . 0.0 111.386 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -61.71 -34.85 76.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.753 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -82.92 5.05 23.2 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -58.28 -42.6 86.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.137 0.426 . . . . 0.0 111.718 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.2 tt -59.45 -34.28 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.4 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt -61.42 -35.31 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.698 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' LYS . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.833 HD21 HD23 ' A' ' 122' ' ' LEU . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 126' ' ' ILE . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 136' ' ' LEU . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.442 HD12 HD13 ' A' ' 147' ' ' ILE . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.08 -43.0 99.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 pt -70.38 -25.67 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -59.67 -38.58 81.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.997 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -89.22 -31.88 17.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -83.07 138.84 33.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.449 . . . . 0.0 112.006 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.32 143.23 49.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.421 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.37 28.56 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.14 -39.51 2.15 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 CA-C-N 118.905 1.352 . . . . 0.0 112.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.6 p -100.49 -1.95 34.4 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 m -61.59 -33.53 74.05 Favored 'General case' 0 C--N 1.333 -0.116 0 O-C-N 121.996 -0.44 . . . . 0.0 112.029 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -47.54 -39.58 16.7 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.85 -39.29 64.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.74 -44.11 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.2 mm -53.9 -47.05 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.482 0.182 . . . . 0.0 110.984 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.76 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.106 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.01 -42.81 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 0.0 110.728 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 76.9 mt -68.51 -37.66 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.83 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.1 -53.03 62.71 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.29 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -62.08 -39.54 92.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.693 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 109' ' ' VAL . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 105' ' ' ARG . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' ALA . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.833 HD23 HD21 ' A' ' 44' ' ' LEU . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 126' ' ' ILE . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.554 HD12 HD23 ' A' ' 123' ' ' LEU . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 58' ' ' LEU . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.442 HD13 HD12 ' A' ' 69' ' ' ILE . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt -104.56 6.03 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt 46.0 79.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -175.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -134.02 156.23 48.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.327 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.563 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -120.45 141.21 50.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.049 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -82.31 52.07 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.518 0.675 . . . . 0.0 110.863 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -83.22 141.74 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.527 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -54.11 -43.48 70.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.6 mp -59.66 -50.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -42.29 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG11 HD21 ' A' ' 51' ' ' LEU . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 123' ' ' LEU . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 126' ' ' ILE . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.433 HD13 ' CG2' ' A' ' 88' ' ' ILE . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 150' ' ' LEU . 40.6 tp -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.73 -33.87 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -57.18 -47.98 79.87 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.536 176.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -93.18 22.11 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.45 124.53 21.55 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -119.61 -42.67 2.62 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.67 -177.51 27.93 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.41 169.03 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.514 1.476 . . . . 0.0 112.3 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.0 p -72.48 -32.96 66.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.366 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p 48.51 54.92 9.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.788 0.804 . . . . 0.0 110.487 -171.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.96 -42.14 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.595 -1.184 . . . . 0.0 113.087 -166.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -60.89 -49.23 78.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.501 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.32 -49.16 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.711 -171.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.8 mt -53.8 -39.65 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.559 0.219 . . . . 0.0 110.813 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.75 -39.32 91.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.599 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -68.11 -38.26 82.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.97 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.433 ' CG2' HD13 ' A' ' 69' ' ' ILE . 32.1 mm -56.97 -46.66 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.93 -40.82 87.71 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.09 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.59 -50.51 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' ALA . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 122' ' ' LEU . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 119' ' ' SER . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.45 HD12 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 51' ' ' LEU . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 28' ' ' LEU . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 72' ' ' LEU . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt -71.77 -27.11 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -57.47 -48.07 80.17 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.773 0.321 . . . . 0.0 111.294 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.08 -36.03 78.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.588 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.908 -174.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -128.24 162.2 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -105.3 125.39 50.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.26 153.71 8.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.198 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -62.22 -44.56 96.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tt -56.99 -33.06 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.549 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.82 -41.23 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 27' ' ' LYS . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 37' ' ' ARG . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 56' ' ' THR . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 69' ' ' ILE . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 66' ' ' ASN . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp -52.9 -62.41 1.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 pt -55.46 -33.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.612 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -66.48 -41.13 89.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 111.222 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.78 15.67 24.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -171.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -84.16 105.43 15.01 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.786 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -61.36 -35.8 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.76 -179.14 31.62 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.23 137.56 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.55 1.5 . . . . 0.0 112.386 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 p -69.23 136.4 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.11 85.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.344 0.592 . . . . 0.0 109.87 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -50.75 -39.32 51.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.889 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -64.76 -46.19 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.536 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.3 mm -74.07 -38.11 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.45 -42.61 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.64 -41.79 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.15 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -58.36 -36.08 72.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.252 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.1 mm -61.21 -47.66 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.555 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -100.97 -5.66 25.58 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.23 -41.49 89.97 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.522 162.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 122' ' ' LEU . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 119' ' ' SER . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.71 -37.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -99.55 21.37 12.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -128.04 17.77 6.66 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.314 176.849 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.925 0.393 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -132.45 154.18 50.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.954 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -84.22 104.9 14.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 111.651 -174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.27 136.46 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.376 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -55.98 -46.97 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.636 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 tt -62.76 -37.81 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.76 -42.48 92.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' CD1' HD21 ' A' ' 72' ' ' LEU . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD13 HD23 ' A' ' 136' ' ' LEU . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 17' ' ' ALA . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 10' ' ' ILE . 79.2 mt -63.99 -42.23 97.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.17 -49.78 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -55.18 -43.53 74.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.123 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -87.76 -0.16 56.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 56.37 46.53 20.75 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.938 -0.476 . . . . 0.0 111.592 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -84.75 119.58 25.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.9 148.79 20.36 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.24 114.75 2.97 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 119.337 1.569 . . . . 0.0 112.065 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.2 p -65.44 -32.29 73.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.705 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -68.71 -6.05 23.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -64.08 152.97 38.95 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.287 0.565 . . . . 0.0 111.549 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.66 -53.32 40.1 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 149' ' ' GLU . 4.1 tt -62.35 -26.18 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -168.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.4 mm -57.43 -46.28 85.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.936 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.92 -36.13 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.247 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -59.84 -35.28 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.234 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.8 mm -60.27 -50.48 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -65.4 -44.76 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.173 -172.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -62.98 -42.54 99.87 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.776 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD23 HD13 ' A' ' 58' ' ' LEU . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' HG ' ' A' ' 136' ' ' LEU . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.543 ' HB2' HD13 ' A' ' 84' ' ' ILE . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.37 -41.58 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -65.41 -40.61 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.263 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -110.31 30.06 7.11 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -172.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.589 174.739 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.053 0.454 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -131.45 158.34 41.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.535 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -85.84 119.73 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -165.33 159.78 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.726 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.78 -39.42 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.514 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 7' ' ' ILE . 4.7 tp -61.56 -30.62 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 HG23 ' A' ' 6' ' ' ILE . 1.6 mp -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' ALA . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 27' ' ' LYS . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 31' ' ' VAL . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 136' ' ' LEU . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 56' ' ' THR . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.11 -39.73 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -71.54 -43.69 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.357 0.598 . . . . 0.0 110.399 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.25 -51.63 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.897 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -101.49 35.12 2.37 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.319 174.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 10.95 80.02 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.304 1.842 . . . . 0.0 115.815 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -105.09 137.54 42.69 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 167.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.69 -171.36 7.12 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -67.64 118.26 5.47 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.409 1.406 . . . . 0.0 112.165 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -65.72 -36.99 85.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.9 t -116.46 133.87 55.51 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -169.71 167.7 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.3 -45.17 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.648 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 84' ' ' ILE . 1.8 mp -58.61 -49.36 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.9 mm -53.38 -46.8 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.687 0.28 . . . . 0.0 111.142 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.98 -40.78 91.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.663 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.4 -37.06 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.321 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.05 -53.04 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -56.98 -36.04 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -173.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -56.91 -42.61 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 99' ' ' VAL . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 109' ' ' VAL . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 105' ' ' ARG . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.758 HD23 HD13 ' A' ' 58' ' ' LEU . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.47 -42.41 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -60.39 -39.18 86.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -65.97 -26.13 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.378 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.713 0.292 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -62.55 144.74 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -72.32 141.03 48.83 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.67 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.19 147.72 25.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.431 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.68 -38.31 84.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.303 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mm -57.17 -51.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -63.65 -33.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.749 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 51' ' ' LEU . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 47' ' ' LEU . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 44' ' ' LEU . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 31' ' ' VAL . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 140' ' ' ILE . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.63 -47.7 68.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.97 -43.01 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.581 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -58.81 -40.37 83.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.518 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.46 -1.48 57.54 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 62.54 44.24 7.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.157 0.503 . . . . 0.0 111.916 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.07 -2.26 56.75 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.56 177.78 16.44 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.41 142.82 41.67 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 CA-C-N 118.943 1.371 . . . . 0.0 111.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.1 p -59.32 -40.36 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.77 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 t -157.31 129.58 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.954 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -154.37 163.83 39.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.219 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -65.48 -38.12 88.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mm -58.8 -51.45 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.268 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -59.82 -32.16 49.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.819 -170.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.671 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.31 -43.35 99.02 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -62.58 -39.2 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.912 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.52 -50.69 72.85 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.504 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -65.9 -35.47 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.894 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 105' ' ' ARG . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 25' ' ' GLU . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.523 HG13 HD22 ' A' ' 58' ' ' LEU . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.76 -40.84 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -66.71 -40.73 88.58 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.54 86.08 2.35 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.115 0.484 . . . . 0.0 110.629 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 117.875 -1.059 . . . . 0.0 109.864 172.409 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -133.44 148.24 51.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.598 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -82.36 115.77 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -152.17 153.2 33.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.761 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.68 -40.73 84.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.162 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 7' ' ' ILE . 3.4 tp -67.36 -47.62 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.454 -175.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' N ' HG23 ' A' ' 6' ' ' ILE . 45.1 mm -61.53 -44.96 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.888 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' A' ' 144' ' ' ASN . 28.7 mm100 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 49' ' ' LEU . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 46' ' ' ASN . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 129' ' ' LEU . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' LEU . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 95' ' ' ALA . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 6' ' ' ILE . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.12 -44.66 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.19 -46.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.69 -40.5 88.07 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.574 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.22 6.21 34.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 67.14 20.16 10.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -75.83 -35.59 59.93 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.642 0.258 . . . . 0.0 111.308 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.8 164.41 39.07 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -175.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -91.09 104.86 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 122.057 1.838 . . . . 0.0 111.055 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p -69.53 159.81 32.64 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.519 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.1 m 63.66 6.03 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.95 118.58 37.24 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -67.46 -9.25 40.15 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 85' ' ' ILE . 3.1 tp -57.19 -35.94 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.257 0.48 . . . . 0.0 110.553 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.542 HD12 HG23 ' A' ' 84' ' ' ILE . 1.5 mp -61.09 -41.31 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 175.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.03 -37.31 86.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.827 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.89 -40.39 91.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.266 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -49.24 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -57.34 -41.72 80.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -58.15 -51.34 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 62' ' ' ILE . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HB3' HG21 ' A' ' 62' ' ' ILE . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HB2' HD13 ' A' ' 136' ' ' LEU . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 95' ' ' ALA . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.621 ' HD2' HD11 ' A' ' 132' ' ' ILE . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 51' ' ' LEU . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.621 HD11 ' HD2' ' A' ' 105' ' ' ARG . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 54' ' ' ILE . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 98' ' ' LYS . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.403 ' OD1' ' NE2' ' A' ' 14' ' ' GLN . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm -74.8 -34.67 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -67.2 -13.02 61.57 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -123.17 42.22 3.26 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.065 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.431 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -132.33 143.36 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -132.64 148.79 52.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.336 0.589 . . . . 0.0 111.916 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.85 166.03 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.744 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -57.84 -42.85 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.511 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.23 -38.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.715 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.5 -38.24 55.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.795 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 133' ' ' ILE . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG21 ' OE1' ' A' ' 103' ' ' GLU . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 59' ' ' ILE . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 61' ' ' ILE . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' THR . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.29 -42.36 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.5 pt -86.29 -32.99 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.631 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.37 -43.1 98.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.754 0.312 . . . . 0.0 110.272 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -83.1 12.83 4.61 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 38.4 29.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -81.52 -50.58 9.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.58 175.3 7.5 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 174.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.09 141.76 84.59 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 CA-C-N 118.992 1.396 . . . . 0.0 112.124 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.0 p -60.12 -41.08 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -149.91 133.36 16.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.735 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.38 147.25 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.06 -24.43 28.13 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.39 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -56.3 -38.04 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.648 0.261 . . . . 0.0 110.597 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.58 -41.56 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.005 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.08 -36.49 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.14 -46.09 90.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.088 0.47 . . . . 0.0 109.984 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mt -62.56 -34.0 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.871 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.37 -43.6 83.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.44 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -59.9 -42.52 94.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.207 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 30.3 mm100 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' HG21 ' A' ' 55' ' ' ILE . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' A' ' 147' ' ' ILE . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 144' ' ' ASN . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.54 -41.58 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -95.69 32.92 1.73 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.62 47.09 1.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.409 1.1 . . . . 0.0 108.281 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.368 -174.161 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tmm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.439 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -134.62 157.45 46.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.418 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -67.99 99.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.85 126.57 41.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.98 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.74 -36.42 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.671 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 75' ' ' ASN . 7.8 tt -54.27 -30.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.645 ' HA ' HD11 ' A' ' 151' ' ' ILE . 68.1 mt -60.36 -48.39 88.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD12 ' HB1' ' A' ' 68' ' ' ALA . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' ALA . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD23 ' C ' ' A' ' 44' ' ' LEU . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 54' ' ' ILE . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 51' ' ' LEU . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 HD21 ' A' ' 66' ' ' ASN . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.435 HD21 HG22 ' A' ' 62' ' ' ILE . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 10' ' ' ILE . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.76 -38.2 81.14 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.98 -46.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.142 0.496 . . . . 0.0 109.872 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -60.48 -37.3 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.539 -175.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.618 ' HB2' HD13 ' A' ' 6' ' ' ILE . 42.5 m-80 -103.3 23.63 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.93 110.18 10.17 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.344 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -60.18 -43.14 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.33 -165.48 34.63 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 121.72 6.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.425 1.417 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -55.65 -36.09 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.087 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 m -116.35 143.93 44.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -168.7 168.42 10.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.61 -44.75 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.994 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.11 -45.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.0 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.088 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.16 -40.05 95.31 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.848 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.97 -32.95 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.836 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 pt -76.91 -27.75 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -85.91 -39.2 17.22 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.462 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -58.09 -37.78 75.16 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.384 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 136' ' ' LEU . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 126' ' ' ILE . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 98' ' ' LYS . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 7' ' ' ILE . 7.2 tt -51.61 -21.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.82 -38.42 55.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.91 9.52 30.1 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -171.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.576 -178.877 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -133.73 154.04 51.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.093 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -74.76 131.99 41.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.321 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -174.46 147.47 1.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.81 -45.17 95.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.5 -40.06 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.489 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.18 -41.58 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.101 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.626 HG23 ' HB1' ' A' ' 68' ' ' ALA . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 133' ' ' ILE . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.626 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.95 -43.44 91.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.62 -26.65 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -73.11 -38.15 66.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 111.379 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -81.31 -26.32 35.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -103.26 -78.46 0.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -68.74 -38.83 80.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.749 0.309 . . . . 0.0 111.126 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.95 -169.35 12.87 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -78.93 8.23 3.89 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.336 1.357 . . . . 0.0 113.745 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 163.15 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -98.23 154.07 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -140.74 163.25 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -48.21 -51.36 25.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.399 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 150' ' ' LEU . 12.0 tt -64.89 -35.11 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.601 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.64 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.229 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -56.36 -40.78 75.11 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.809 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -62.98 -40.7 98.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.232 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.34 -44.44 90.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.22 -43.32 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.435 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -61.74 -39.1 90.38 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.491 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 105' ' ' ARG . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.626 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.626 HD13 ' CB ' ' A' ' 112' ' ' ALA . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 126' ' ' ILE . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.681 HD12 HD23 ' A' ' 123' ' ' LEU . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 54' ' ' ILE . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 84' ' ' ILE . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.9 -23.99 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -59.57 -42.36 92.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -73.28 3.97 5.15 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 113.189 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.961 -179.282 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -77.44 163.85 26.0 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.447 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -99.75 -38.47 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -55.88 -38.41 70.12 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -172.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -83.25 134.98 34.92 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.966 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.877 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 tp -64.09 -39.68 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.974 -174.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.877 HD12 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -60.48 -56.53 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD21 HD23 ' A' ' 122' ' ' LEU . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.735 HD13 HD23 ' A' ' 129' ' ' LEU . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' LEU . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.1 -47.26 65.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -42.46 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.539 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -69.89 -34.51 73.63 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.357 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -55.61 -37.24 67.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.56 0.219 . . . . 0.0 110.632 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -84.26 18.42 2.19 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.1 mttt 69.25 53.57 0.44 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.21 171.92 38.42 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.191 165.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -66.09 147.07 83.68 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.492 1.461 . . . . 0.0 111.361 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -140.95 161.29 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.41 . . . . 0.0 111.284 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.1 t -81.66 11.16 4.99 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -56.53 141.19 43.79 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.907 -0.496 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.11 -53.16 60.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.169 -171.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.6 tt -64.53 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.548 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.49 -40.12 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.492 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.43 -39.68 80.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.584 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -64.74 -41.48 95.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.927 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.22 -48.34 88.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.439 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.4 -47.83 77.68 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.248 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -63.76 -39.99 95.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.889 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.518 HG22 HD21 ' A' ' 136' ' ' LEU . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 112' ' ' ALA . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.697 HD23 HD21 ' A' ' 44' ' ' LEU . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 51' ' ' LEU . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 99' ' ' VAL . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 151' ' ' ILE . 1.7 mp -89.0 -37.85 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -54.34 -37.64 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.987 -0.097 . . . . 0.0 111.09 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.72 -68.0 0.17 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.856 0.723 . . . . 0.0 111.046 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.43 -178.054 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.994 0.426 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -138.01 -179.41 5.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p 48.39 34.55 4.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.975 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -107.24 -14.15 14.97 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.56 154.04 30.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 111.486 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 tt -60.5 -39.68 82.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.826 -175.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp -56.83 -37.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' OE1' ' A' ' 14' ' ' GLN . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' A' ' 10' ' ' ILE . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 17' ' ' ALA . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 54' ' ' ILE . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 47' ' ' LEU . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 44' ' ' LEU . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 27' ' ' LYS . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 140' ' ' ILE . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.636 HD13 HG11 ' A' ' 99' ' ' VAL . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB3' HD12 ' A' ' 73' ' ' ILE . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.55 -37.69 77.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 70' ' ' LYS . 92.2 mt -54.89 -36.36 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.49 -44.66 95.73 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.916 173.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -68.69 -42.14 78.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -88.9 -5.77 57.77 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 66.24 45.77 2.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 169.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.65 159.78 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.014 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.44 -37.21 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.379 1.386 . . . . 0.0 112.0 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.3 p -86.03 -9.11 57.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -79.75 -10.33 59.77 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.64 139.5 40.32 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.376 0.534 . . . . 0.0 110.768 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.209 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 84' ' ' ILE . 1.8 mp -57.61 -52.44 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.0 -39.19 79.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.92 -47.65 82.21 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.25 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.93 -38.78 92.38 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.742 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -42.59 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.14 -51.36 61.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.963 -174.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -60.43 -41.05 93.2 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.032 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 59' ' ' ILE . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.51 HD12 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.39 -32.62 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.87 -38.5 78.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -88.91 8.75 27.76 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.55 178.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' OE1' ' A' ' 14' ' ' GLN . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.611 ' OE1' HG22 ' A' ' 10' ' ' ILE . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 17' ' ' ALA . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 HD21 ' A' ' 51' ' ' LEU . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HG11 ' A' ' 31' ' ' VAL . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 61' ' ' ILE . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 58' ' ' LEU . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.45 0.167 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 99' ' ' VAL . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 96' ' ' ARG . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 126' ' ' ILE . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 109' ' ' VAL . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 51' ' ' LEU . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 68' ' ' ALA . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 14' ' ' GLN . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 51' ' ' LEU . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 36' ' ' LYS . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' HG13 ' A' ' 39' ' ' VAL . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' LEU . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 54' ' ' ILE . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 51' ' ' LEU . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 136' ' ' LEU . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 58' ' ' LEU . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 147' ' ' ILE . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.54 0.21 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 39' ' ' VAL . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 34' ' ' ALA . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 147' ' ' ILE . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 150' ' ' LEU . 44.5 tp . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' A' ' 139' ' ' ILE . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' A' ' 95' ' ' ALA . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 69' ' ' ILE . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 72' ' ' LEU . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt . . . . . 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 17' ' ' ALA . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 137' ' ' ILE . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' LYS . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 47' ' ' LEU . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 44' ' ' LEU . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 129' ' ' LEU . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.821 HD13 HD23 ' A' ' 136' ' ' LEU . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.648 0.261 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 117' ' ' VAL . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 44' ' ' LEU . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 51' ' ' LEU . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.708 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.821 HD23 HD13 ' A' ' 58' ' ' LEU . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 134' ' ' GLU . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' ALA . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' ILE . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' ALA . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 109' ' ' VAL . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 105' ' ' ARG . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.559 0.218 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 72' ' ' LEU . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 17' ' ' ALA . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 51' ' ' LEU . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 HG11 ' A' ' 31' ' ' VAL . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' ILE . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 58' ' ' LEU . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 10' ' ' ILE . 35.8 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.563 0.22 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 139' ' ' ILE . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.44 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 ' HB ' HD21 ' A' ' 51' ' ' LEU . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 122' ' ' LEU . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 ' HB ' ' A' ' 31' ' ' VAL . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 24' ' ' MET . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 106' ' ' LEU . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 HD12 ' A' ' 147' ' ' ILE . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 106' ' ' LEU . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 55' ' ' ILE . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 105' ' ' ARG . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 44' ' ' LEU . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 132' ' ' ILE . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 129' ' ' LEU . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 132' ' ' ILE . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 151' ' ' ILE . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 147' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' LYS . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.833 HD21 HD23 ' A' ' 122' ' ' LEU . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 126' ' ' ILE . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 136' ' ' LEU . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.442 HD12 HD13 ' A' ' 147' ' ' ILE . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.569 0.223 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 109' ' ' VAL . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 105' ' ' ARG . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' ALA . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.833 HD23 HD21 ' A' ' 44' ' ' LEU . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 126' ' ' ILE . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.554 HD12 HD23 ' A' ' 123' ' ' LEU . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 58' ' ' LEU . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.442 HD13 HD12 ' A' ' 69' ' ' ILE . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG11 HD21 ' A' ' 51' ' ' LEU . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 123' ' ' LEU . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 126' ' ' ILE . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 150' ' ' LEU . 40.6 tp . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' ALA . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 122' ' ' LEU . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 119' ' ' SER . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.45 HD12 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 51' ' ' LEU . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 28' ' ' LEU . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 72' ' ' LEU . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 27' ' ' LYS . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 37' ' ' ARG . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 56' ' ' THR . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 61' ' ' ILE . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 69' ' ' ILE . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 66' ' ' ASN . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 122' ' ' LEU . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 119' ' ' SER . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.574 ' CD1' HD21 ' A' ' 72' ' ' LEU . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD13 HD23 ' A' ' 136' ' ' LEU . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 17' ' ' ALA . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 10' ' ' ILE . 79.2 mt . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.367 0.127 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.592 HD23 HD13 ' A' ' 58' ' ' LEU . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' HG ' ' A' ' 136' ' ' LEU . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 143' ' ' SER . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' ALA . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 27' ' ' LYS . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 31' ' ' VAL . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 136' ' ' LEU . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 56' ' ' THR . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 99' ' ' VAL . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 109' ' ' VAL . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 105' ' ' ARG . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.758 HD23 HD13 ' A' ' 58' ' ' LEU . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 51' ' ' LEU . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 47' ' ' LEU . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 44' ' ' LEU . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 31' ' ' VAL . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 140' ' ' ILE . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.318 0.104 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 105' ' ' ARG . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 25' ' ' GLU . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.523 HG13 HD22 ' A' ' 58' ' ' LEU . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.495 0.188 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 49' ' ' LEU . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 46' ' ' ASN . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 129' ' ' LEU . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' LEU . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 95' ' ' ALA . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 62' ' ' ILE . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HB3' HG21 ' A' ' 62' ' ' ILE . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HB2' HD13 ' A' ' 136' ' ' LEU . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 95' ' ' ALA . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.621 ' HD2' HD11 ' A' ' 132' ' ' ILE . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 51' ' ' LEU . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.621 HD11 ' HD2' ' A' ' 105' ' ' ARG . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 54' ' ' ILE . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 98' ' ' LYS . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.414 0.15 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 133' ' ' ILE . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG21 ' OE1' ' A' ' 103' ' ' GLU . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 59' ' ' ILE . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 61' ' ' ILE . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' THR . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.9 mm-40 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' HG21 ' A' ' 55' ' ' ILE . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' A' ' 147' ' ' ILE . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 144' ' ' ASN . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.645 ' HA ' HD11 ' A' ' 151' ' ' ILE . 68.1 mt . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.424 HD12 ' HB1' ' A' ' 68' ' ' ALA . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' ALA . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 44' ' ' LEU . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 54' ' ' ILE . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 51' ' ' LEU . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 HD21 ' A' ' 66' ' ' ASN . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.435 HD21 HG22 ' A' ' 62' ' ' ILE . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 10' ' ' ILE . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 136' ' ' LEU . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 98' ' ' LYS . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 7' ' ' ILE . 7.2 tt . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.626 HG23 ' HB1' ' A' ' 68' ' ' ALA . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 133' ' ' ILE . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.626 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 105' ' ' ARG . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.626 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.626 HD13 ' CB ' ' A' ' 112' ' ' ALA . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 126' ' ' ILE . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.681 HD12 HD23 ' A' ' 123' ' ' LEU . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 54' ' ' ILE . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD21 HD23 ' A' ' 122' ' ' LEU . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.735 HD13 HD23 ' A' ' 129' ' ' LEU . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' LEU . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.518 HG22 HD21 ' A' ' 136' ' ' LEU . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 112' ' ' ALA . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.697 HD23 HD21 ' A' ' 44' ' ' LEU . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 51' ' ' LEU . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 99' ' ' VAL . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 151' ' ' ILE . 1.7 mp . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' OE1' ' A' ' 14' ' ' GLN . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' A' ' 10' ' ' ILE . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 17' ' ' ALA . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 54' ' ' ILE . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 47' ' ' LEU . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 44' ' ' LEU . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 27' ' ' LYS . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 140' ' ' ILE . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.636 HD13 HG11 ' A' ' 99' ' ' VAL . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.51 0.195 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 59' ' ' ILE . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.51 HD12 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.705 0.288 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -91.25 138.4 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -57.97 141.52 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.581 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -159.1 164.08 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.822 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -60.42 -43.91 96.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.844 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.754 HG23 HD12 ' A' ' 7' ' ' ILE . 7.2 tp -64.65 -33.56 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.703 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -57.37 -50.69 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.59 -30.34 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.642 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.53 -42.4 98.76 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.323 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' OE1' ' A' ' 14' ' ' GLN . 50.5 mm -64.96 -40.66 89.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 174.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.24 -46.26 86.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -63.38 -45.72 89.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.527 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.43 -35.78 74.66 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.173 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.611 ' OE1' HG22 ' A' ' 10' ' ' ILE . 3.4 mp0 -61.31 -41.57 97.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.64 -41.57 75.44 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.191 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.83 -40.6 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.916 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.94 -47.57 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -58.7 -42.06 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.036 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.32 -58.03 8.97 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.19 -44.92 84.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.022 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 17' ' ' ALA . 97.8 t -57.48 -44.9 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.215 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.35 -38.08 89.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.817 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.63 -56.19 5.32 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.2 mmm -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.456 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.19 -35.23 35.27 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.545 -0.722 . . . . 0.0 110.994 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -56.26 -35.96 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.8 mmtt -63.03 -49.79 73.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.91 -49.25 77.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.781 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.92 -37.53 78.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.48 91.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 HD21 ' A' ' 51' ' ' LEU . 80.0 t -66.69 -45.73 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.114 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -62.59 -45.24 93.82 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.925 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.18 -40.89 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.698 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.33 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.963 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -61.72 -40.56 95.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.211 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -59.91 -45.95 90.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.525 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -63.35 -36.01 82.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.239 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 54.25 2.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -61.49 147.46 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.728 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.2 p -67.84 173.44 4.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.283 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 -45.99 89.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.31 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.72 -43.79 76.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -71.67 -28.27 63.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.76 -36.87 65.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.28 -37.5 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.57 -40.28 95.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.329 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.64 -46.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -62.56 -39.08 92.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.546 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -61.1 -45.0 96.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.73 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HG11 ' A' ' 31' ' ' VAL . 92.2 mt -67.24 -38.45 85.22 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.921 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.29 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -60.46 -41.35 93.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.31 -51.69 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.51 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.17 -48.73 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.125 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 m -57.76 -44.4 86.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.0 m -60.29 -45.2 94.19 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.54 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 61' ' ' ILE . 92.3 mt -62.27 -39.59 93.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.2 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.23 -43.97 78.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -59.57 -42.97 93.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 58' ' ' LEU . 74.1 mt -61.26 -45.21 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.002 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.2 mt -57.89 -40.11 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.19 -40.8 98.53 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.805 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.69 -40.78 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.9 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -60.31 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.718 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -61.92 -42.25 98.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.987 0.423 . . . . 0.0 110.462 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -34.68 78.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.27 82.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.582 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 88' ' ' ILE . 49.2 mm -62.41 -43.97 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.082 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -60.78 -44.19 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -36.62 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.449 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.68 -45.02 94.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.784 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 pt -75.08 -33.08 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.65 -42.78 99.8 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.836 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -95.56 10.91 34.97 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -93.35 125.5 37.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -113.02 118.13 33.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.284 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.13 178.79 15.79 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -84.31 94.13 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 CA-C-N 119.164 1.482 . . . . 0.0 112.768 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.3 m -80.76 132.61 35.54 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.431 ' HB2' HD13 ' A' ' 84' ' ' ILE . 18.3 m -79.02 138.24 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.892 0.377 . . . . 0.0 110.784 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -35.05 70.1 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -64.0 -42.8 97.06 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.647 HG21 HD13 ' A' ' 150' ' ' LEU . 3.9 mp -65.14 -47.06 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.15 -47.78 89.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -41.2 98.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.503 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -55.43 -45.04 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.749 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 69' ' ' ILE . 75.2 mt -64.86 -41.8 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.226 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.49 -40.1 93.34 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.175 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.668 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.74 -43.05 98.43 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.012 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -38.84 91.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.076 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.42 -41.63 89.96 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.312 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.13 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.78 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.343 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 99' ' ' VAL . 30.2 mmt180 -61.16 -41.64 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.57 -52.25 58.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -64.22 -43.4 95.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.781 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 96' ' ' ARG . 10.0 p -55.69 -29.42 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.609 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -39.96 80.2 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.393 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.19 -38.78 88.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.729 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.19 96.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.277 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.45 -36.7 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.143 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.84 -54.97 38.62 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.772 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -67.73 -29.93 69.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.2 tp -57.59 -41.22 80.75 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.892 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.93 -39.73 63.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.672 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -58.87 -53.5 57.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.042 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 126' ' ' ILE . 13.2 p -59.55 -41.87 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -176.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -61.83 -45.81 92.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.065 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.79 -38.4 85.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.714 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.73 90.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 m -60.59 -42.83 97.52 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -58.59 -45.89 88.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -64.36 -32.91 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.407 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.26 52.73 1.32 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.21 145.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.0 t -49.9 153.5 1.3 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.045 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -45.6 91.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.845 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.743 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -66.27 -42.18 88.86 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.886 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.27 -41.69 99.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.72 -40.02 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.643 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -58.29 -41.33 84.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.771 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.84 -35.72 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.436 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 109' ' ' VAL . 1.3 mp -62.97 -58.71 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 -59.05 -41.38 87.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.458 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.07 -42.49 99.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.332 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 51' ' ' LEU . 57.5 tp -61.11 -40.2 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.46 93.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.586 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.33 -39.52 90.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -41.48 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.068 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.3 mm -61.56 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.585 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.37 -41.28 84.4 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.238 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.04 -38.27 90.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.595 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.88 -45.38 89.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.193 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 11.1 tt -71.75 -26.11 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -56.16 -42.48 77.06 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.561 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.08 -43.81 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.137 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.23 -45.11 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.295 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.61 -44.3 96.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.98 -40.2 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.706 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -60.24 -38.24 82.82 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.455 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -58.63 -43.37 89.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.0 -35.59 80.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.248 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.54 76.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.889 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.87 -40.65 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.541 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.14 -43.35 92.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.98 -43.16 83.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.833 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 84' ' ' ILE . 46.9 tp -62.05 -51.31 68.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.92 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.667 -171.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -67.72 -35.55 78.97 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.257 179.25 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -139.49 158.96 43.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.317 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -122.5 143.81 49.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.306 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -66.15 -35.24 79.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.717 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.75 -42.37 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.252 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.91 -41.15 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.767 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.9 -41.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.95 -38.78 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.0 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -66.2 -42.25 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.743 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 68' ' ' ALA . 83.6 mt -69.76 -41.04 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.26 -38.29 79.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.449 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -56.12 -44.55 79.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.629 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -61.88 -39.55 92.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.543 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 20.8 pt20 -83.26 -17.22 43.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.404 -0.518 . . . . 0.0 112.324 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.34 -42.72 83.1 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.779 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 14' ' ' GLN . . . -63.13 -44.05 96.69 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -62.8 -40.17 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.637 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.7 tp -56.63 -53.98 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.201 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -67.9 -42.48 81.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -37.14 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.023 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.774 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.3 -42.85 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.871 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mmm -64.22 -34.02 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.318 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.87 -38.29 85.08 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.931 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 -57.24 -42.04 80.69 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.432 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -65.28 -41.9 93.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.141 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.05 -41.45 87.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.398 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.45 -36.15 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.23 88.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.798 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HD21 ' A' ' 51' ' ' LEU . 58.2 t -63.25 -47.13 93.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.399 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.292 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.76 -43.79 87.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.086 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.61 -37.85 49.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.484 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -65.73 100.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.082 0.468 . . . . 0.0 111.255 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.1 pttt -148.44 170.15 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.349 174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.56 147.67 53.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.9 42.0 9.22 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 121.194 -0.526 . . . . 0.0 111.853 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 36' ' ' LYS . 76.4 t -113.95 137.01 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.1 t -68.97 152.17 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -62.09 -30.52 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.019 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.2 -43.79 83.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.895 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' HG13 ' A' ' 39' ' ' VAL . 93.7 mt-30 -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.438 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.9 mt -57.18 -40.61 77.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.017 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.98 -43.55 86.6 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.561 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -64.93 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.815 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 44' ' ' LEU . 33.5 mt -63.39 -41.9 98.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.814 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.95 -41.08 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.66 -41.9 82.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -62.06 -48.79 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.243 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 54' ' ' ILE . 89.2 mt -63.73 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.722 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.56 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.307 . . . . 0.0 110.403 177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.57 -38.92 86.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 51' ' ' LEU . 85.9 mt -59.1 -46.56 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.581 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -59.94 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -55.22 -43.88 74.91 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.4 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -68.8 -42.38 77.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 0.0 110.695 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 136' ' ' LEU . 32.6 tp -63.38 -35.93 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.217 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -40.05 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.47 -37.94 89.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.737 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.88 -51.11 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.47 -40.48 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.933 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -77.11 -40.02 47.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -62.18 -42.97 99.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.835 -175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -1.27 36.04 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -88.69 -43.69 11.13 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.989 -0.444 . . . . 0.0 109.981 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -66.95 -46.04 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.451 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -58.93 -41.74 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -58.79 -48.57 80.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.779 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -70.91 -39.14 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.235 0.334 . . . . 0.0 111.696 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -49.39 72.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.791 -174.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 tp -60.88 -27.97 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -61.12 -52.1 66.31 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.556 0.693 . . . . 0.0 109.918 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -68.06 -40.8 82.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.718 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -69.72 -51.19 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.856 -172.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -109.37 21.06 17.54 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.03 52.36 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.75 -31.84 0.99 Allowed 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.501 1.467 . . . . 0.0 112.736 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 m -117.78 126.92 53.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -158.33 160.27 36.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.06 -39.97 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.278 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.06 -40.71 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.752 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -54.9 -46.24 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.956 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.16 -28.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.868 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.07 -33.92 75.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.774 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.66 -44.33 85.61 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.151 -176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.4 pt -76.9 -22.84 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.54 -31.18 57.44 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -143.77 -44.44 0.27 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -53.63 -40.53 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.518 0.599 . . . . 0.0 110.952 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.15 -38.16 75.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.927 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.63 -51.17 59.3 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.98 -38.68 79.71 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.031 -0.667 . . . . 0.0 110.147 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.94 -43.77 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.731 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -64.65 -45.52 86.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.605 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -62.03 -39.86 93.77 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.718 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -57.57 -37.56 73.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.416 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.63 -44.17 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.92 -38.57 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.05 -42.83 99.82 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.138 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.29 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.862 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.6 -36.43 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.41 -60.71 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.0 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -69.29 -30.36 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.84 -38.76 70.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.734 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.38 -39.09 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.188 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -62.99 -38.8 92.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.63 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.95 -39.48 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.725 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -64.65 -44.02 91.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.013 0.435 . . . . 0.0 110.027 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.9 -38.39 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.172 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.17 86.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.0 p -62.14 -35.95 80.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.184 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.13 -49.69 76.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.427 . . . . 0.0 110.421 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -66.79 -39.43 87.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.083 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.41 44.83 4.22 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.09 166.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.4 m -55.86 143.64 30.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -47.47 65.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.149 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -56.73 -45.0 82.22 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.368 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -66.81 -37.72 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.1 -39.56 92.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.536 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.02 -39.85 75.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.958 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.85 -42.08 98.6 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.545 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.51 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.48 -40.05 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.129 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -57.21 -39.72 76.02 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.38 -40.6 96.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.28 -41.95 90.12 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.974 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.6 90.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.621 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.75 -47.23 78.96 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.405 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.63 -43.45 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.742 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.49 -44.89 99.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.37 -39.45 70.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.741 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -72.86 -41.31 64.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 58' ' ' LEU . 27.7 tp -60.78 -40.69 93.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.768 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.27 -45.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.39 -37.88 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.01 -42.75 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.352 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -39.08 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.905 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -59.04 -55.89 29.33 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.961 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.19 -37.19 74.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.514 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.9 p -67.64 -39.37 84.62 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.815 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -69.14 -39.17 79.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.364 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.47 -32.97 74.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.723 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.06 68.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 147' ' ' ILE . 1.8 mp -54.45 -35.46 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -55.97 -36.58 68.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.286 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -67.63 -36.6 81.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.263 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.04 -39.71 94.69 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 29.8 pt -68.14 -35.97 73.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.372 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -69.88 -34.24 73.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -107.29 151.34 25.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.049 173.407 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.2 p -84.08 158.34 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -131.52 130.22 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 111.228 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -64.52 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -54.32 -47.43 72.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.527 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 mp -70.41 -43.86 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mm -56.25 -35.28 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.512 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.229 -0.189 . . . . 0.0 111.395 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -54.49 -48.22 72.09 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.292 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.7 mp -57.5 -40.64 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -60.15 -39.44 86.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.258 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -61.83 -44.79 96.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.616 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -60.99 -37.34 82.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -57.11 -39.73 75.65 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.469 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.5 -40.42 85.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.677 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.99 -44.29 80.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.172 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.37 98.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.434 . . . . 0.0 110.088 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.38 -45.27 84.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.749 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.78 -41.0 99.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -60.18 -43.05 96.18 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.895 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.03 -48.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.48 -36.49 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.634 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.57 -44.99 85.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.942 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 mmt -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.888 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.16 -41.33 88.1 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.333 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -58.19 -39.71 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -62.0 -47.99 82.31 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.64 -41.53 95.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.044 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.48 -38.1 76.91 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.37 94.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.598 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.6 -44.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.138 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.71 -45.87 92.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.074 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.34 -40.12 89.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 39' ' ' VAL . . . -71.52 -17.42 62.33 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.2 t -75.87 -16.29 60.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -69.5 150.02 47.62 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 122.153 -0.342 . . . . 0.0 110.241 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -68.51 146.28 53.26 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.536 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.69 43.26 4.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 34' ' ' ALA . 12.6 p -130.14 146.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -54.59 143.28 25.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -69.66 -38.0 76.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.383 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -39.56 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.003 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -56.26 -37.49 69.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.52 -37.84 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.664 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.26 -38.63 74.18 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.125 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.24 -32.38 72.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.59 -34.62 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.01 -47.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.81 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.4 -40.13 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.734 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -63.31 -43.87 96.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.577 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.73 -40.97 98.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.283 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.26 -39.23 72.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.936 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.96 -47.21 85.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.75 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.89 -49.66 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mm -54.71 -46.28 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.025 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.3 p -77.62 -30.16 52.18 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.3 m -71.3 -43.38 67.2 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.051 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.77 -42.75 90.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 tt -61.4 -28.75 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.7 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.52 -39.35 93.61 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.272 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -36.67 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.595 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.6 mm -52.21 -49.79 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 110.398 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.89 -40.88 95.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.86 -36.7 82.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.951 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -59.44 -44.05 93.02 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -53.41 56.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -61.2 -37.52 83.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.378 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.7 88.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.404 . . . . 0.0 110.728 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 147' ' ' ILE . 18.8 mm -63.69 -57.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.448 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -57.66 -52.54 65.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.871 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -58.33 -37.6 75.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.891 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 150' ' ' LEU . 44.5 tp -58.66 -42.26 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -67.88 -44.32 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.443 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -60.27 -45.35 93.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.433 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.17 -39.13 60.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.724 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -75.47 -67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.777 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -98.32 -74.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.969 -172.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.79 166.38 39.35 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.79 -37.34 98.23 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.308 1.339 . . . . 0.0 112.141 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.0 p -105.33 142.46 35.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 110.788 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.453 ' HB2' HD13 ' A' ' 84' ' ' ILE . 43.5 m -154.53 155.83 35.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.72 -35.09 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.459 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.5 -39.32 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 81' ' ' SER . 1.7 mp -58.19 -57.87 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 tp -54.17 -34.89 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.433 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.11 -43.11 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.411 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.08 -39.37 93.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.544 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.6 pt -63.97 -30.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -32.65 72.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -150.83 -36.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -54.96 -40.58 70.14 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.039 0.836 . . . . 0.0 111.216 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.51 -39.47 14.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.69 -39.02 93.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.665 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.74 -39.99 82.51 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.383 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' A' ' 139' ' ' ILE . . . -69.57 -36.96 76.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.022 175.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -73.59 -52.97 11.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.408 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -60.86 -37.31 81.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -56.26 -35.85 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.646 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.02 -44.87 84.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.3 -48.96 78.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.27 -25.72 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.963 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.57 86.04 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.453 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.05 -39.19 86.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.76 -44.61 90.64 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.231 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -71.38 -31.73 67.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.751 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.2 tp -58.26 -39.01 78.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.979 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.31 -35.48 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.317 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.25 -39.76 93.11 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.174 -0.21 . . . . 0.0 111.565 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.38 -34.54 49.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.838 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -64.87 -45.82 84.39 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -68.18 -41.19 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.55 93.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.187 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.3 p -63.03 -40.04 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.974 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -38.28 88.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.564 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -60.55 -38.45 84.53 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.748 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.23 31.36 14.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.06 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.91 157.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 O-C-N 122.464 -0.433 . . . . 0.0 110.76 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 t -57.89 162.45 3.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.4 t -60.66 -40.11 90.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.852 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -55.84 -40.4 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.588 -174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -63.34 -40.5 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.959 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.72 -45.82 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.598 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.34 -41.52 72.61 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.325 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.54 -38.8 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.97 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.75 -55.91 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.588 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.43 -40.44 91.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.473 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.09 -41.78 84.19 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.175 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.77 -39.69 91.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.499 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.7 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.4 -38.25 84.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.5 mm -60.53 -45.5 96.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.68 -40.18 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.813 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.69 -43.15 84.93 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.135 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.65 -42.05 87.27 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.244 172.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.43 -40.51 71.59 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.392 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.62 -45.51 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.61 -42.04 99.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.663 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' A' ' 95' ' ' ALA . 33.6 mm -61.5 -43.59 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.4 mm -57.71 -43.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -66.42 -50.94 61.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.956 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.564 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -57.75 -36.56 72.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.313 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.97 -35.7 66.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.761 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -58.35 -34.45 70.66 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.857 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.0 -32.03 52.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.83 -0.168 . . . . 0.0 111.19 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.592 HD13 HD13 ' A' ' 69' ' ' ILE . 24.6 mm -57.62 -46.53 86.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.98 -35.88 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.389 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.94 -38.86 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.924 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 72' ' ' LEU . 77.3 mt -66.98 -44.22 81.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.9 pt -69.43 -36.72 73.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.015 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.563 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -100.38 142.91 31.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.511 . . . . 0.0 111.8 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.078 174.226 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 p -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -60.62 -38.5 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.381 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.22 -35.26 75.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.628 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -56.78 -46.83 81.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -172.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.37 -51.92 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.074 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -57.41 -39.95 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -174.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.38 -49.03 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.98 -34.76 75.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.04 -52.74 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.31 -42.86 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.452 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -59.41 -35.7 74.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.132 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -60.04 -41.69 92.83 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.943 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.25 -42.0 96.7 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.376 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.58 -40.26 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.7 -43.08 94.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.488 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -58.1 -41.99 84.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 -42.59 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.681 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -67.91 -36.95 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 17' ' ' ALA . 91.8 t -66.4 -44.5 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.37 -40.34 96.99 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.25 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.56 -31.07 59.89 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.613 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 137' ' ' ILE . 33.2 ttp -57.03 -42.28 80.14 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.44 -36.54 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.272 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -60.73 -40.64 93.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.517 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 50.2 mttt -69.89 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.437 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.65 -46.1 91.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.066 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -70.03 -38.34 75.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.983 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.3 91.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.401 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' LYS . 93.5 t -63.86 -41.98 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -61.71 -48.73 79.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.732 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -47.47 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.729 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.08 80.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.44 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -60.7 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.48 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.57 -44.06 95.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 0.0 111.07 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -60.94 -36.75 80.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.215 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.45 131.51 6.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.02 160.21 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.878 0.371 . . . . 0.0 111.029 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.4 t -69.74 158.89 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.093 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -56.04 -39.49 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -63.62 -48.52 76.97 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.92 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -66.66 -37.87 85.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.789 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 47' ' ' LEU . 53.6 tp -55.41 -39.84 70.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.69 -44.11 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -61.48 -35.8 78.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 44' ' ' LEU . 76.5 mt -59.84 -40.45 88.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.03 -42.88 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.85 -38.95 92.99 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.752 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -59.45 -47.13 86.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.832 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 129' ' ' LEU . 64.8 mt -61.91 -38.46 88.47 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.643 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.44 81.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.329 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -63.55 -43.43 97.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.89 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.39 -42.98 95.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.387 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.74 -46.03 90.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.4 m -61.07 -42.21 98.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.0 m -61.56 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.06 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.821 HD13 HD23 ' A' ' 136' ' ' LEU . 96.2 mt -69.65 -42.93 73.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.55 -41.27 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.298 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -59.59 -39.65 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.265 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.64 -45.67 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 110.418 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.0 -39.64 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.785 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.86 -40.83 97.5 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.374 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.27 -39.1 75.14 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.561 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.4 p -66.0 -37.64 86.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.45 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.62 -46.33 73.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.19 -38.02 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.98 88.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.792 0.33 . . . . 0.0 110.125 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.02 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.08 -48.33 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.874 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.96 -37.93 87.26 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.483 -175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.61 -45.66 74.81 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.576 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.78 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -58.79 -37.19 75.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.223 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.88 -60.13 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.568 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -59.35 -41.77 89.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.626 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -78.68 -69.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.864 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.33 -174.53 23.29 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.986 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -60.62 -12.98 23.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 121.587 1.524 . . . . 0.0 113.715 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -90.87 22.11 3.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 t -85.99 -2.67 58.52 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.872 0.694 . . . . 0.0 112.872 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -51.33 -41.58 60.65 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.322 -171.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.512 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.07 -41.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.697 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.68 -40.59 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.082 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.64 -44.99 92.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.574 -175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -71.38 -33.0 69.13 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.9 -44.14 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -59.43 -39.46 83.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.92 -41.06 95.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.342 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -59.92 -45.16 93.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.04 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.51 -34.7 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.257 174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.25 -37.02 64.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.81 -36.17 74.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.12 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.25 61.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.944 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -52.93 -40.27 63.47 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -64.81 -41.07 96.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.748 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -64.21 -38.38 90.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.691 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.29 -46.32 95.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.306 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.41 -28.96 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.805 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.15 -35.94 76.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.195 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.157 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -37.03 61.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.935 -178.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.79 -50.81 72.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.131 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -66.31 -32.5 73.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.532 174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.74 -41.04 85.54 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.6 -36.39 82.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.866 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -60.18 -41.49 93.01 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.952 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.94 -45.05 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -61.89 -40.05 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.02 -40.58 96.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.994 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 117' ' ' VAL . . . -70.38 -37.86 74.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.32 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.1 m -59.93 -51.73 68.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.413 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.41 -41.87 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -59.57 -37.69 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.767 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.49 25.82 19.78 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.823 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.438 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 28.2 m -68.54 149.44 11.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 117.314 0.557 . . . . 0.0 110.387 177.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 t -54.23 151.85 6.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 111.415 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.0 p -61.46 -33.42 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.471 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.01 -41.92 79.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.219 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -63.43 -41.39 98.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 44' ' ' LEU . 22.1 tp -66.02 -42.65 89.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.865 -170.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.13 -33.05 66.98 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.857 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.24 -40.18 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.79 -39.57 87.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.601 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 126' ' ' ILE . 1.8 mp -61.32 -41.63 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -56.84 -43.67 81.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.44 -35.63 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.005 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 51' ' ' LEU . 44.2 tp -58.34 -39.85 80.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.261 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.87 -41.65 43.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.104 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.82 -39.03 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.438 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.61 -39.95 72.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.22 -36.65 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.955 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.708 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.7 mt-10 -57.11 -42.91 81.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.73 -35.97 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.331 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.821 HD23 HD13 ' A' ' 58' ' ' LEU . 48.6 tp -62.99 -39.7 95.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.426 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 134' ' ' GLU . 5.3 tp -60.29 -28.58 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.656 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -61.21 -37.1 81.8 Favored 'General case' 0 C--N 1.333 -0.118 0 O-C-N 122.246 -0.283 . . . . 0.0 110.536 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.55 -42.94 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.07 -42.55 90.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.691 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -61.96 -48.64 79.46 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.6 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -58.58 -47.35 84.55 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.712 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.1 p -58.36 -41.87 85.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.641 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -67.96 -40.83 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.728 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.19 -36.38 82.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.2 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.45 94.38 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.614 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.71 -43.96 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -53.22 -41.97 65.89 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.389 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.12 -37.61 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.904 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.88 -38.57 86.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.9 -40.27 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.393 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -80.83 -5.38 57.18 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 59.64 72.05 0.55 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.236 0.471 . . . . 0.0 110.446 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.024 178.544 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' TYR . 9.2 t -132.44 139.17 47.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.63 0.252 . . . . 0.0 110.324 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -57.43 -41.29 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.308 -174.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -55.48 -39.63 70.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.792 0.329 . . . . 0.0 111.223 -175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' THR . 24.3 t80 -69.88 -48.69 57.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.696 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.21 -34.66 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.295 -175.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mm -56.41 -42.59 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -76.76 -41.66 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.07 -49.93 70.36 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.026 -175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -59.63 -41.95 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.34 -43.29 71.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.736 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -76.2 -41.83 48.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.561 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.32 -40.01 80.93 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.52 -173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.45 -41.09 88.83 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.996 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.15 -39.85 90.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.455 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.49 -43.19 93.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.938 0.399 . . . . 0.0 110.165 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.74 -39.83 88.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.366 175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.34 -38.23 68.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.41 -44.08 88.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.936 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.98 -38.36 88.28 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.051 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' ALA . 99.9 t -59.01 -43.38 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.84 -40.07 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.796 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.15 -51.59 67.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.539 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.8 mmt -61.35 -34.07 74.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.86 -38.25 81.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.69 -37.76 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.633 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -61.81 -48.28 81.33 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.202 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.79 -46.25 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.108 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.19 -38.68 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.618 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.99 -46.87 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -57.4 -44.93 84.96 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.923 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -54.46 -37.72 65.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.256 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -65.09 -29.56 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.31 -24.43 67.28 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.575 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.92 168.28 11.53 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 111.075 -172.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.64 52.52 4.71 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.21 138.8 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -148.02 162.16 39.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.083 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 m 61.79 -115.12 0.57 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.135 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -63.5 -47.03 83.39 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 119.855 1.207 . . . . 0.0 111.719 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.3 -39.2 92.22 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.794 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.45 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.94 -42.43 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.08 -38.68 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.872 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.57 -45.16 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.29 -39.71 87.89 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.471 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -61.17 -43.67 98.51 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.275 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.19 -37.79 88.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.34 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.476 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -60.98 -43.57 98.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.47 -54.84 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.953 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' THR . 0.9 OUTLIER -63.88 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.235 -177.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 51.1 m -62.07 -45.15 94.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -176.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.1 m -61.05 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.465 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' ILE . 80.6 mt -62.78 -40.17 96.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.92 -35.96 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.32 -39.56 93.46 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.798 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.5 mt -58.39 -57.35 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.5 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.05 -31.3 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.588 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.15 -45.21 85.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.694 0.283 . . . . 0.0 110.742 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.35 -37.53 66.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.826 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -41.55 88.54 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.781 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.34 -40.92 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.23 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.86 -35.35 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.427 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.23 95.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 111.056 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.77 -35.12 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.919 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.22 -41.67 76.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -95.94 -21.81 17.81 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.92 -40.3 95.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 110.677 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.17 -36.49 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -73.28 -39.54 65.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 6' ' ' ILE . 70.1 m-80 -92.12 6.18 47.51 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -96.23 122.02 38.64 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.295 0.498 . . . . 0.0 110.152 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -79.74 -37.34 35.73 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.168 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.05 152.91 52.9 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.045 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.67 126.79 22.29 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.376 1.384 . . . . 0.0 112.066 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.9 p -76.08 148.93 37.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -120.2 119.77 34.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.906 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -61.64 -32.52 72.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.13 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -50.64 -45.55 57.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 84' ' ' ILE . 1.9 mp -76.56 -31.79 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.641 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.57 -35.99 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.528 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.2 -34.5 18.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.57 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -60.63 -41.62 95.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.142 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 146' ' ' ALA . 7.4 tp -65.78 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.457 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.28 -42.12 99.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.289 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -65.36 -38.61 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.98 -43.05 91.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.03 -46.12 90.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.918 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -54.15 -43.42 70.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.387 -171.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.56 -39.0 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.639 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.53 -34.92 79.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.035 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -56.48 -40.54 75.08 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.36 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -64.46 -49.01 73.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.801 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.99 -36.71 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.916 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' ALA . 100.0 t -63.77 -44.3 98.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.31 -42.72 96.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -39.03 91.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.84 97.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.77 -37.51 84.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.801 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.01 -65.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.258 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 109' ' ' VAL . 30.8 mmt-85 -52.26 -38.71 58.99 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.81 0.338 . . . . 0.0 111.228 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.9 tp -57.05 -41.56 78.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.255 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.95 -40.72 65.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -58.27 -40.81 82.86 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.308 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 105' ' ' ARG . 92.9 t -65.19 -38.59 83.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.057 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.7 tmmt? -58.18 -51.78 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.84 -37.84 85.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.33 76.03 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.689 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -70.59 -39.54 73.76 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.051 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -66.18 -59.06 4.12 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.552 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -56.72 -32.18 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.57 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.91 35.62 4.21 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.11 137.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -55.31 147.94 15.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.014 0.435 . . . . 0.0 111.209 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.4 p -59.55 -32.03 69.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.548 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.02 -49.94 75.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.049 0.452 . . . . 0.0 110.373 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -71.72 -40.0 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.844 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.42 -50.48 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.418 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.59 -37.7 84.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.366 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -58.26 -40.1 80.94 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.424 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.33 -41.02 94.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.99 -35.46 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.779 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.56 -40.67 97.6 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.286 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.51 -41.76 86.18 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.21 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.23 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.177 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -38.59 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.31 -42.91 75.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.1 -44.46 79.92 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.071 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.77 -38.15 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.853 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.94 -45.73 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.178 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.21 -35.65 70.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -169.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -77.95 -25.8 48.45 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.052 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 1.7 mm -60.44 -44.41 96.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 170.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.72 -33.08 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -57.67 -47.75 81.42 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -62.1 -39.7 93.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.324 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 m -57.89 -59.84 4.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.461 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -76.18 -15.27 60.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.06 -41.25 77.83 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.182 0.447 . . . . 0.0 110.209 171.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 88' ' ' ILE . . . -64.07 -36.26 83.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 51.7 mm -56.47 -42.84 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -61.33 -38.55 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.48 -39.02 88.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.708 0.289 . . . . 0.0 111.115 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.65 -39.26 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.8 pt -100.72 -0.42 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt 58.13 68.29 0.85 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 111.11 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -129.61 148.29 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.467 -178.471 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.068 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 5' ' ' TYR . 14.0 t -135.25 153.87 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -53.33 -37.32 62.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.608 -173.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.6 -40.88 88.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.851 0.357 . . . . 0.0 110.943 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 2' ' ' THR . 15.0 m-30 -76.19 -29.46 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.5 mm -56.87 -54.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.534 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm -57.18 -44.04 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.863 -173.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.98 -42.7 94.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.295 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.75 -39.99 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.295 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 72' ' ' LEU . 45.0 mm -58.2 -40.51 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.41 -42.3 86.88 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.629 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -59.41 -43.04 93.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -58.02 -39.02 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.473 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.69 -36.3 82.18 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.468 173.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.13 -40.08 90.37 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.822 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -68.04 -45.46 73.88 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.127 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.39 -42.99 93.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.82 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -45.05 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.955 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.71 -45.61 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.194 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -59.35 -50.85 72.39 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.672 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 17' ' ' ALA . 98.8 t -51.59 -50.02 31.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.189 -172.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.26 -35.9 76.58 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.853 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.62 -45.3 79.58 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.777 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.7 mmm -72.55 -28.84 63.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.23 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.16 -42.79 86.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.284 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -64.33 -41.1 96.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.084 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -57.69 -43.38 85.09 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.71 -46.4 89.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.485 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.79 -40.94 81.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.089 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.13 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.369 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 51' ' ' LEU . 95.5 t -66.24 -37.77 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.143 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -57.52 -52.07 66.89 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.574 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.08 -37.07 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.47 -175.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.31 84.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 110.685 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.88 -38.38 90.64 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -147.56 163.57 36.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 112.366 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 66.86 2.34 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.621 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.68 121.98 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -122.48 145.64 48.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.53 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -58.84 -38.46 78.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.118 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -70.49 -43.54 69.51 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.118 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -69.26 -33.76 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.568 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.52 -43.2 62.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.486 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.93 -35.23 76.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.573 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -56.96 -37.8 72.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.36 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.88 -33.68 67.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.2 mm -57.62 -44.28 85.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.28 -42.41 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.579 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.95 -47.79 81.69 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.563 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 HG11 ' A' ' 31' ' ' VAL . 87.1 mt -63.72 -37.03 85.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.928 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.77 99.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.134 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -60.26 -41.61 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.03 -60.21 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.806 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 tp -61.72 -40.36 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.515 -174.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.4 m -58.78 -42.48 89.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.56 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -65.27 -42.58 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' ILE . 93.5 mt -71.17 -37.22 72.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 13.0 pt -57.22 -39.76 69.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -85.81 -19.18 31.07 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 58' ' ' LEU . 76.1 mt -63.8 -39.34 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.198 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.93 -43.86 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.379 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.65 -38.95 89.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.6 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -36.43 84.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.921 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m -59.9 -42.23 93.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.01 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -57.23 -42.13 80.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.38 -35.35 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.5 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' ILE . 48.3 mm -63.82 -42.29 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.105 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -58.62 -41.57 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.59 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.69 -38.05 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 10' ' ' ILE . 35.8 tp -64.95 -40.97 95.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.06 -174.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 44.7 pt -71.64 -31.63 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.224 0.454 . . . . 0.0 112.224 -172.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.27 -46.6 22.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.997 0.427 . . . . 0.0 110.95 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -89.05 14.01 11.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -74.98 142.92 43.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 118.141 0.428 . . . . 0.0 110.944 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -90.46 147.01 23.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.312 0.577 . . . . 0.0 112.396 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.04 169.56 0.12 Allowed Glycine 0 CA--C 1.532 1.098 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.966 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -44.14 142.99 3.66 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.66 1.573 . . . . 0.0 112.978 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.69 154.01 48.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.383 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -79.64 129.12 34.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -69.39 -29.27 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.848 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.64 -46.71 70.62 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 146' ' ' ALA . 45.6 mm -64.96 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.618 -177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.2 mm -61.88 -38.03 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.491 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -72.9 -43.28 62.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.941 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -68.18 -38.25 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.1 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.5 tp -65.32 -34.97 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.165 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.15 -48.56 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.067 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.02 -36.47 79.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.915 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -58.56 -37.93 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.55 -42.2 91.84 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.739 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.78 -27.5 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -62.24 -39.55 93.21 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.023 170.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -59.06 -37.55 77.29 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.627 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -57.56 -44.54 85.34 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.386 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.78 -45.92 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.512 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -57.85 -37.13 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.122 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.8 t -62.3 -49.97 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.76 -41.66 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.19 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.1 -39.01 84.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.682 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.61 -40.37 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -41.99 93.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.07 -47.85 81.91 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.287 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -69.01 -35.39 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.801 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.08 -41.75 71.93 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.988 0.423 . . . . 0.0 110.544 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.2 -38.02 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.568 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.65 -36.74 84.84 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.84 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.65 -47.16 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -65.11 -46.46 80.94 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.621 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.57 -39.25 90.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.013 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.62 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.2 p -65.22 -42.45 93.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.326 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.19 -54.02 30.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.44 . . . . 0.0 110.975 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -62.11 -36.97 83.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.531 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.51 69.18 0.79 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.99 143.67 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -51.18 140.73 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.697 -173.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -57.67 -36.52 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.017 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.7 -42.61 95.17 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.763 -0.375 . . . . 0.0 112.007 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.66 -18.3 20.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.135 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.93 -39.54 74.69 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.868 -0.52 . . . . 0.0 109.651 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.74 -41.6 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.025 172.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -58.1 -40.51 81.33 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.492 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.5 -41.04 98.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.4 -43.42 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.048 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -64.21 -42.05 96.79 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.413 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.36 -43.22 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.23 -42.87 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.213 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.17 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.6 -41.11 93.17 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.813 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.78 -41.28 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.0 -42.67 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.93 -36.6 75.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.209 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.64 -39.79 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.27 -36.35 79.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.235 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.62 -40.41 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.707 0.289 . . . . 0.0 110.304 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.65 -45.65 93.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.326 -177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 139' ' ' ILE . 1.8 mp -59.71 -45.31 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.613 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.78 -44.14 96.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.338 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -68.36 -59.26 3.31 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -56.89 -36.31 69.98 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.824 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.0 p -59.13 -47.96 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.979 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -90.97 -1.36 57.83 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.52 -40.07 77.16 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.54 0.609 . . . . 0.0 110.332 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 84' ' ' ILE . . . -63.54 -39.78 95.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.8 mm -65.47 -34.94 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.305 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -58.57 -36.52 74.07 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.787 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.222 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.09 -39.66 86.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.636 0.255 . . . . 0.0 110.714 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -13.65 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 175.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt 67.2 51.42 0.92 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.465 0.65 . . . . 0.0 111.002 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -103.2 167.01 10.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.762 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.466 -179.161 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.995 0.426 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 2' ' ' THR . 9.2 t -89.23 125.01 34.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -109.85 145.49 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.329 -173.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.33 165.71 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.14 -41.3 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.06 -43.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.063 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.89 -37.99 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.75 -49.66 76.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.28 75.66 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.013 -178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.9 -42.58 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -61.66 -42.63 99.17 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -56.66 -45.58 81.56 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.662 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -58.87 -35.95 73.83 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.264 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -61.8 -44.26 97.21 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.31 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.36 -41.22 85.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.181 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.76 -36.13 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.882 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.66 90.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.883 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -56.05 -33.69 65.2 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.515 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.4 -44.89 92.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.922 0.392 . . . . 0.0 110.071 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -66.95 -37.74 84.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.141 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.45 -43.3 93.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.79 -37.6 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.0 -50.66 69.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.801 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.44 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -59.53 -35.42 74.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.418 177.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.66 -47.78 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -171.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -57.16 -46.35 82.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.799 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.16 -38.5 88.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.967 173.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -58.21 -44.26 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.981 -175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -55.88 -35.14 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.28 -58.22 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 111.331 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.541 ' HB ' HD21 ' A' ' 51' ' ' LEU . 30.9 m -65.19 -28.3 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.029 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -50.77 -56.04 13.94 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.804 0.335 . . . . 0.0 111.437 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -72.43 -40.68 66.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.098 -175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 -41.48 60.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -57.94 -48.33 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -64.25 -56.52 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.568 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -60.29 -37.18 79.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.45 148.28 23.73 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.2 173.74 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.682 0.277 . . . . 0.0 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -55.71 152.2 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -58.46 -36.76 74.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.918 -174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -57.05 -52.75 64.04 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.016 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -70.24 -35.38 73.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.46 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 122' ' ' LEU . 32.7 tp -56.85 -39.8 74.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.582 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.52 -37.56 84.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.812 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -72.67 -31.15 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.8 tp -58.25 -44.62 88.41 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.42 -21.39 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -174.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.65 -45.1 90.06 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 0.0 110.018 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.99 -41.88 81.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.349 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 ' HB ' ' A' ' 31' ' ' VAL . 95.9 mt -57.46 -48.1 80.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.73 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.633 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.04 -44.27 94.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 24' ' ' MET . 76.6 mt -66.23 -40.22 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 106' ' ' LEU . 2.8 mm -58.05 -51.29 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 m -60.14 -45.18 93.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.631 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -58.62 -40.44 83.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.612 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.0 -39.3 89.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.069 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.88 -42.0 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.727 0.298 . . . . 0.0 110.689 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.32 -45.94 95.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.071 0.462 . . . . 0.0 109.824 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.75 -38.06 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.261 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.64 -41.28 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.486 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -69.1 -35.93 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -56.22 -44.17 79.27 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 110.292 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.79 -38.77 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.806 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.22 85.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.406 HD13 HD12 ' A' ' 147' ' ' ILE . 26.1 mm -62.46 -55.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.97 -43.07 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.994 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.66 -39.48 94.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.986 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.21 -31.97 72.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.714 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.68 -44.31 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.49 -55.62 25.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -62.68 -25.22 68.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.26 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 42.29 60.35 2.35 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.681 0.792 . . . . 0.0 112.568 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.65 154.14 20.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.013 171.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.2 -178.52 38.77 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -85.21 88.12 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 121.845 1.697 . . . . 0.0 111.322 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -73.49 133.75 43.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.47 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' ILE . 10.2 m -141.92 147.04 36.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.322 174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -55.38 -41.75 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -75.59 -24.97 56.62 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 81' ' ' SER . 1.7 mp -63.86 -51.38 70.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 173.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.7 mm -54.11 -40.89 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -175.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.36 -41.05 98.81 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.093 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -65.48 -42.29 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.543 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 150' ' ' LEU . 1.6 mp -58.62 -50.72 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -38.83 77.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.663 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.34 -43.42 97.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.276 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -62.64 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.349 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.86 -37.77 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.836 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.55 -54.27 48.72 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.239 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.73 -34.89 73.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -58.72 -41.84 87.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -64.41 -39.67 94.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.591 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -58.71 -44.23 90.31 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.295 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -62.3 -35.36 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.024 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 95' ' ' ALA . 76.1 t -66.16 -48.85 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.1 -45.45 94.68 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.78 -36.54 79.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.945 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.99 95.63 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.11 174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 106' ' ' LEU . 72.7 mm-40 -63.54 -43.09 98.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.557 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.41 -41.8 98.96 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.46 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG23 ' A' ' 109' ' ' VAL . 60.2 mtt85 -67.05 -32.4 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.976 177.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 55' ' ' ILE . 66.6 mt -60.95 -44.95 96.57 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.606 171.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.51 -41.62 97.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.63 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -61.45 -39.87 92.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.181 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 105' ' ' ARG . 99.2 t -62.58 -41.88 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -59.85 -41.48 91.52 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.054 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.99 -40.5 95.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.56 97.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.8 m -65.09 -38.51 90.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -58.31 -52.76 64.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -70.53 -41.03 73.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.48 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.67 58.14 2.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.3 t -56.48 145.22 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.376 . . . . 0.0 110.464 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.1 p -56.23 163.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -64.76 -43.04 94.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.203 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -71.77 -44.05 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.648 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.74 -35.71 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 111.645 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 HD23 ' A' ' 44' ' ' LEU . 41.7 tp -59.13 -25.99 64.32 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.87 -41.99 58.51 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.22 -49.83 75.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.666 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -38.21 77.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.072 -167.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -83.63 -20.91 32.79 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.307 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -59.66 -42.01 91.88 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 167.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 132' ' ' ILE . 21.5 tp -61.95 -34.75 76.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.002 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.07 -52.81 12.93 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.85 -29.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 129' ' ' LEU . 9.0 tp -64.39 -26.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.875 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.51 -56.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 O-C-N 122.282 -0.261 . . . . 0.0 110.522 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -57.58 -30.58 65.38 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.333 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 132' ' ' ILE . 97.1 mt-10 -63.04 -40.72 98.56 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.933 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.4 -37.87 86.21 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.631 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.35 -53.03 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.81 -35.01 78.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.351 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -39.93 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.75 -39.58 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.59 -46.66 84.8 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.949 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -62.26 -36.61 82.58 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.639 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p -64.4 -40.0 94.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.301 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -63.81 -36.58 84.36 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.122 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.5 -39.14 65.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.3 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.753 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 151' ' ' ILE . 4.2 tp -59.75 -36.0 63.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.185 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -62.82 -45.41 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.702 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.37 -32.54 73.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.812 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 16.1 tp -55.21 -39.61 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.536 0.207 . . . . 0.0 111.122 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 147' ' ' ILE . 0.2 OUTLIER -116.77 2.49 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 177.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt 60.29 53.7 4.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.509 0.671 . . . . 0.0 110.239 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -129.8 161.4 30.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.617 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -157.79 160.39 37.76 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.596 0.634 . . . . 0.0 111.386 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -61.71 -34.85 76.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.753 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -82.92 5.05 23.2 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -58.28 -42.6 86.92 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.137 0.426 . . . . 0.0 111.718 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.2 tt -59.45 -34.28 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.4 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.8 mt -61.42 -35.31 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.698 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.81 -38.42 79.91 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.891 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -66.19 -48.2 71.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.386 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.49 -35.96 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.753 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -58.39 -48.98 78.89 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.266 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -58.99 -44.76 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.895 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.85 -39.26 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.898 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.88 -41.77 99.52 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.365 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.0 -38.41 85.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.505 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.07 -45.47 90.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 110.287 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -58.11 -44.19 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.522 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.55 -45.41 87.23 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.151 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -71.62 -40.67 69.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.039 -175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.7 t -58.42 -42.46 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.56 -37.93 79.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.182 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.91 -41.04 97.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.49 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.47 -37.07 82.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -40.36 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.242 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -58.68 -43.51 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.383 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.4 mmmt -70.53 -39.98 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -46.63 85.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.743 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.71 -36.56 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.967 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.12 -40.86 82.31 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.201 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' LYS . 58.7 t -65.77 -44.58 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.946 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.035 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.73 -38.47 89.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.921 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.02 47.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.927 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.5 m -60.46 -39.82 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.33 -40.79 87.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -74.86 -31.39 61.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.13 56.75 2.96 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.51 149.01 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.4 p -68.34 177.23 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.195 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -60.83 -36.31 78.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -59.82 -44.24 94.14 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.623 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -72.72 -32.79 65.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.833 HD21 HD23 ' A' ' 122' ' ' LEU . 30.7 tp -50.36 -39.55 46.75 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -173.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.9 mt -59.48 -38.53 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.363 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.35 -38.99 91.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.48 -42.26 91.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.3 mt -59.49 -39.91 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.376 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.537 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -63.01 -45.83 90.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 126' ' ' ILE . 89.1 mt -59.07 -41.47 88.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.619 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.83 94.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.357 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.47 -43.01 98.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.99 -48.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.45 -46.1 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.307 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 m -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.219 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -75.31 -45.68 38.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 111.008 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD21 HD23 ' A' ' 136' ' ' LEU . 57.3 tp -63.29 -42.11 99.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.781 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.0 tt -59.32 -36.95 66.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.239 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.68 -39.79 94.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.72 -39.44 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.329 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.19 -44.9 88.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.05 -51.05 51.18 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -69.59 -40.95 76.38 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.075 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.7 p -68.72 -46.37 69.1 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.188 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -55.38 -41.7 72.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.359 -175.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.34 -37.73 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.857 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.49 84.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.711 0.291 . . . . 0.0 110.839 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.442 HD12 HD13 ' A' ' 147' ' ' ILE . 27.9 mm -57.53 -53.12 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -60.44 -43.84 96.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.331 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.86 -37.43 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.645 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.08 -43.0 99.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 pt -70.38 -25.67 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -59.67 -38.58 81.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.997 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -89.22 -31.88 17.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -83.07 138.84 33.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.449 . . . . 0.0 112.006 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.32 143.23 49.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.421 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.37 28.56 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -73.14 -39.51 2.15 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 CA-C-N 118.905 1.352 . . . . 0.0 112.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.6 p -100.49 -1.95 34.4 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 m -61.59 -33.53 74.05 Favored 'General case' 0 C--N 1.333 -0.116 0 O-C-N 121.996 -0.44 . . . . 0.0 112.029 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -47.54 -39.58 16.7 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.85 -39.29 64.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.74 -44.11 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -174.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.2 mm -53.9 -47.05 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.482 0.182 . . . . 0.0 110.984 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.76 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.106 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.01 -42.81 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 0.0 110.728 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 76.9 mt -68.51 -37.66 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.83 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.1 -53.03 62.71 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.29 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -62.08 -39.54 92.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.693 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -56.48 -44.86 81.03 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.558 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -68.36 -38.22 81.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.51 -41.11 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.864 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.99 -35.38 79.82 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.23 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.315 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -58.76 -33.38 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.3 174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -80.51 -50.82 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.288 . . . . 0.0 111.201 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -60.07 -38.73 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.767 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.05 -37.34 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.08 -39.9 82.8 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.778 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -42.68 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.316 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.39 83.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.329 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.95 -50.25 69.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 110.727 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 109' ' ' VAL . 56.1 mtt85 -67.37 -30.22 69.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.949 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.85 -41.69 78.37 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.106 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.49 -40.43 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -58.78 -40.42 83.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.727 0.299 . . . . 0.0 110.628 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 105' ' ' ARG . 87.9 t -66.98 -44.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.967 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -61.11 -47.27 87.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.55 -37.02 84.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.024 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.92 -42.88 98.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.687 0.28 . . . . 0.0 110.578 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 p -65.48 -38.03 88.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.081 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -61.91 -42.26 98.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -75.14 -20.75 59.24 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.83 41.28 5.38 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' ALA . 55.7 t -69.17 140.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -57.31 146.36 29.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.292 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -59.56 -31.74 69.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.64 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.37 -50.64 59.14 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -88.35 -36.31 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.651 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.833 HD23 HD21 ' A' ' 44' ' ' LEU . 30.6 tp -56.45 -38.43 71.64 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.976 -175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 126' ' ' ILE . 79.1 mt -59.86 -40.29 88.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.797 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -56.98 -41.09 77.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.803 0.335 . . . . 0.0 110.596 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.554 HD12 HD23 ' A' ' 123' ' ' LEU . 87.5 mt -62.79 -40.14 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.091 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -62.94 -47.6 82.53 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -64.64 -46.92 80.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.849 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.61 -39.1 92.7 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.395 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.36 91.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.748 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.02 -40.22 78.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.421 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.42 -43.48 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.61 -43.73 97.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.65 -44.91 81.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.71 -41.37 98.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.221 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.63 HD23 HD21 ' A' ' 58' ' ' LEU . 59.1 tp -59.06 -38.58 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.7 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.03 -44.77 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -56.73 -41.53 77.66 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.084 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.16 -38.35 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.2 mm -60.79 -47.81 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -62.29 -53.47 54.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.983 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -58.04 -40.91 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.43 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.2 m -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -61.86 -43.56 98.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.674 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.22 -35.26 76.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.049 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.97 -50.53 13.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.442 HD13 HD12 ' A' ' 69' ' ' ILE . 8.5 tp -60.89 -32.74 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.754 -173.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -59.25 -36.92 76.37 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.002 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.36 -36.69 71.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.282 -174.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.97 -37.2 83.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.385 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.6 pt -104.56 6.03 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt 46.0 79.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -175.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -134.02 156.23 48.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.327 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.563 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -120.45 141.21 50.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.049 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -82.31 52.07 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.518 0.675 . . . . 0.0 110.863 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -83.22 141.74 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.527 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -54.11 -43.48 70.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.6 mp -59.66 -50.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -42.29 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -61.14 -43.64 98.57 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.796 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -66.34 -38.9 88.69 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.609 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.69 -42.39 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -43.89 97.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.804 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -62.64 -50.96 69.15 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.6 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -63.71 -35.0 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.2 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -54.71 -37.24 65.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.752 0.311 . . . . 0.0 110.469 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.77 -38.57 91.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.81 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.75 -43.23 76.26 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.696 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.77 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.22 -41.8 93.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.628 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.57 -49.73 74.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.495 -171.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -56.7 -45.31 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.063 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 t -50.83 -40.99 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.308 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.657 -0.417 . . . . 0.0 112.062 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -81.86 -40.59 22.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.8 mmm -61.37 -34.08 74.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.108 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.36 -36.9 66.83 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.429 0.156 . . . . 0.0 110.626 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -58.06 -42.21 84.98 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.237 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.3 mttt -62.06 -45.27 94.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.877 -0.729 . . . . 0.0 111.012 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 tp -58.17 -40.29 81.07 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.254 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.01 -40.16 96.94 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.22 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -61.83 -37.88 86.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.891 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG11 HD21 ' A' ' 51' ' ' LEU . 67.9 t -59.04 -44.32 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -63.4 -48.2 78.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.59 -40.17 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.39 84.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.905 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.231 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.72 -44.03 90.31 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -107.27 129.1 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.0 -163.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.75 79.87 0.12 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.276 -0.488 . . . . 0.0 112.031 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.49 105.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.0 m -135.57 151.02 49.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.438 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -58.8 -43.5 90.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -67.53 -39.65 85.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.636 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.517 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 123' ' ' LEU . 32.0 mt -58.99 -39.93 83.3 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.896 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.96 -40.36 93.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.04 -37.76 80.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.097 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.49 -38.17 83.44 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.47 -50.37 77.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.679 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -41.51 97.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.6 -42.15 99.4 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.21 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 126' ' ' ILE . 42.1 mt -59.82 -45.5 92.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.31 77.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.591 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.66 -43.46 89.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.46 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mm -59.82 -64.68 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 m -56.0 -47.13 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.8 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.0 m -57.26 -51.61 68.66 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.555 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.56 -47.65 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.764 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -54.05 -51.85 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.521 -172.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.78 -11.06 59.67 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 164.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.51 -39.6 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.43 -42.44 99.45 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.79 -41.49 78.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.471 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -62.76 -41.5 99.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -47.49 80.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.021 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.35 -39.59 91.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.821 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.05 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.433 HD13 ' CG2' ' A' ' 88' ' ' ILE . 92.3 mt -64.99 -49.7 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.412 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -57.02 -49.48 75.68 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.993 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.13 -36.35 83.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.38 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 150' ' ' LEU . 40.6 tp -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.73 -33.87 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -57.18 -47.98 79.87 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.536 176.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -93.18 22.11 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.45 124.53 21.55 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -119.61 -42.67 2.62 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.67 -177.51 27.93 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.41 169.03 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.514 1.476 . . . . 0.0 112.3 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.0 p -72.48 -32.96 66.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.366 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p 48.51 54.92 9.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.788 0.804 . . . . 0.0 110.487 -171.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.96 -42.14 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.595 -1.184 . . . . 0.0 113.087 -166.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -60.89 -49.23 78.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.501 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.32 -49.16 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.711 -171.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.8 mt -53.8 -39.65 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.559 0.219 . . . . 0.0 110.813 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.75 -39.32 91.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.599 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -68.11 -38.26 82.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.97 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.433 ' CG2' HD13 ' A' ' 69' ' ' ILE . 32.1 mm -56.97 -46.66 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.93 -40.82 87.71 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.09 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -62.59 -50.51 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.87 -41.94 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -60.41 -41.23 93.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.05 -46.25 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.55 -35.87 81.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.16 -44.38 92.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.792 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -59.77 -49.87 76.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.388 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.55 -35.19 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -64.74 -26.52 68.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.464 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.4 t -67.92 -44.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 122.255 -0.278 . . . . 0.0 111.131 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.6 -32.49 73.98 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.689 -173.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -33.98 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.119 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.76 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.15 -42.63 84.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.0 -46.68 89.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.094 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -72.92 -31.67 64.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.73 -40.49 83.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.03 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.59 -39.57 84.81 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.077 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -62.05 -42.96 99.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.883 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.72 -37.71 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.706 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -65.35 -52.61 52.56 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.825 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.38 -36.96 76.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.849 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.08 -41.54 92.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.374 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -75.49 -33.95 60.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.6 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -61.89 -51.07 69.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.96 -38.17 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.282 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.61 63.33 0.21 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' ALA . 59.9 t -99.49 140.75 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.5 m -51.01 146.66 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.48 . . . . 0.0 111.917 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 122' ' ' LEU . 96.2 p -63.17 -33.81 76.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.704 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -62.02 -39.09 91.09 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.285 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -86.24 -27.48 24.42 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.991 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 119' ' ' SER . 47.0 mt -57.83 -41.62 82.65 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.997 171.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.45 HD12 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.04 -39.04 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.626 173.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.06 -37.88 88.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.342 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.99 -35.22 69.41 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.666 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 51' ' ' LEU . 81.2 mt -67.41 -46.73 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 171.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -53.43 -41.51 66.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.773 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -78.31 -44.46 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 26.7 tp -59.54 -45.12 92.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.813 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.54 -42.23 74.3 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.813 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.8 -40.04 91.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.534 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.1 -45.93 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 28' ' ' LEU . 15.3 mm -55.9 -46.51 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.047 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.72 -40.0 65.71 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.328 -174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.25 -37.64 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.983 175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.83 -38.76 92.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.604 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.37 -51.34 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.127 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -65.18 -45.56 84.37 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.76 -41.36 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.146 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.88 -38.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.328 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -66.46 -46.47 76.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.601 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -56.63 -38.42 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.807 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.6 p -65.97 -38.64 89.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.503 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.55 -36.09 82.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.423 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -73.12 -39.59 65.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.845 0.355 . . . . 0.0 110.968 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.55 95.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.74 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.98 -28.47 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 120.7 -0.4 . . . . 0.0 112.074 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -56.51 -43.2 79.54 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.5 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -68.87 -37.75 79.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.426 HD23 HD23 ' A' ' 72' ' ' LEU . 55.3 tp -66.83 -46.44 75.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 15.0 tt -71.77 -27.11 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -57.47 -48.07 80.17 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.773 0.321 . . . . 0.0 111.294 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.08 -36.03 78.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.588 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.908 -174.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -128.24 162.2 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.579 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -105.3 125.39 50.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.26 153.71 8.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.198 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -62.22 -44.56 96.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tt -56.99 -33.06 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.549 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.82 -41.23 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 120.93 0.395 . . . . 0.0 110.458 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.4 -38.61 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -61.98 -44.64 96.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.235 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.58 -51.75 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.53 -39.99 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.439 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -62.4 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.103 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.72 -40.84 93.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.052 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -67.49 -39.64 85.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.776 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.71 -43.9 91.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.094 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -65.03 -35.49 81.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.966 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -53.4 -42.63 67.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.959 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -47.38 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.402 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -65.83 -41.99 91.11 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 65.7 t -60.82 -42.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.278 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.73 -37.12 83.06 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.088 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.96 -43.39 92.84 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.782 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -60.95 -37.5 82.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.26 -39.69 93.72 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.7 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -65.16 -37.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.7 mttt -61.67 -46.44 89.74 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.682 171.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.24 -47.48 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.055 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.29 -37.13 86.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.883 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.83 93.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.489 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 27' ' ' LYS . 61.2 t -66.78 -41.69 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -58.86 -54.57 45.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.178 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.3 -39.11 81.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.16 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.15 76.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.394 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.4 p -68.46 -27.78 66.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -54.84 -34.89 63.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.311 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' A' ' 37' ' ' ARG . 46.8 mtt85 -85.47 -178.78 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.36 156.69 6.82 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -130.07 151.94 36.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.119 0.485 . . . . 0.0 111.466 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -127.05 153.09 46.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.495 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -56.1 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.103 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -69.69 -37.4 76.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.304 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.52 -42.6 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.973 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.75 -35.93 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.319 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.09 -41.86 75.83 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.42 -38.48 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.794 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.85 -32.84 73.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.502 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.34 -49.38 73.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.06 -42.79 88.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.667 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.41 -43.53 98.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.121 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.83 89.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.525 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.16 -40.33 81.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.59 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.05 -50.76 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.603 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.54 -49.87 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.914 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.8 m -58.2 -43.39 87.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.223 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.4 m -61.68 -44.87 96.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.255 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.75 -33.07 74.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.682 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 56' ' ' THR . 75.1 mt -57.12 -39.23 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.359 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -60.93 -39.3 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.784 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 61' ' ' ILE . 2.0 mp -57.53 -38.15 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.34 -43.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.14 -40.03 93.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.692 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.7 -47.82 51.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.167 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.1 p -64.08 -37.44 87.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.112 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 69' ' ' ILE . 85.5 m-20 -59.23 -58.06 10.29 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.176 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.9 -17.02 63.32 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.63 95.93 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 66' ' ' ASN . 18.8 tt -77.14 -25.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.53 -44.33 96.19 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.16 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.75 -46.81 87.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.293 0.568 . . . . 0.0 109.662 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp -52.9 -62.41 1.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.699 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 pt -55.46 -33.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.612 -172.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -66.48 -41.13 89.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 111.222 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.78 15.67 24.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -171.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -84.16 105.43 15.01 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.786 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -61.36 -35.8 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.76 -179.14 31.62 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.23 137.56 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.55 1.5 . . . . 0.0 112.386 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 p -69.23 136.4 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.11 85.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.344 0.592 . . . . 0.0 109.87 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -50.75 -39.32 51.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.889 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -64.76 -46.19 83.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.536 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.3 mm -74.07 -38.11 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.45 -42.61 81.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.64 -41.79 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.15 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -58.36 -36.08 72.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.252 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.1 mm -61.21 -47.66 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.555 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -100.97 -5.66 25.58 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.23 -41.49 89.97 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.522 162.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.97 -39.37 94.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.771 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.4 mm-40 -60.57 -39.15 86.97 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.343 176.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.67 -41.41 97.5 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.48 -32.12 73.48 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -55.15 -60.05 3.92 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.174 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -54.15 -47.2 72.2 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.724 -0.39 . . . . 0.0 112.033 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -77.48 9.04 3.56 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -96.51 -35.77 11.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.72 0.295 . . . . 0.0 110.367 158.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -46.31 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.57 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.07 -57.51 10.4 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.154 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -57.19 -31.02 65.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.099 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.23 89.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -91.15 -14.73 30.58 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.92 -46.33 89.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.57 0.623 . . . . 0.0 109.475 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -62.36 -40.43 96.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.471 173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.96 -44.48 96.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.706 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.82 -38.26 86.1 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.439 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.72 -42.58 97.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.999 177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.97 -39.95 58.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.463 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.433 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.13 -39.77 79.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.409 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.24 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 p -62.7 -33.89 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.065 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -60.52 -49.57 77.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.811 0.339 . . . . 0.0 110.605 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -71.6 -37.09 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.1 55.37 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.16 149.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -50.56 139.45 15.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.655 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 122' ' ' LEU . 53.7 p -58.26 -35.2 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.578 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -61.19 -43.29 99.11 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.53 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -69.12 -37.32 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.595 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 119' ' ' SER . 95.9 mt -58.01 -43.48 86.69 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 173.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.86 -38.48 82.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -61.1 -47.81 84.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.196 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.95 -39.35 90.36 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.04 -48.79 85.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -58.31 -41.71 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.277 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.1 -42.21 84.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.298 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.84 -41.65 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.725 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.73 90.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.731 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.1 -38.93 72.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.08 -45.62 95.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.35 -37.78 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.034 174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.13 -52.75 63.21 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.789 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -33.24 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.276 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.64 -41.87 95.77 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.0 -40.55 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -39.62 82.35 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.363 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -46.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -38.06 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.256 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -57.82 -47.99 81.02 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.054 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -66.4 -38.96 88.66 Favored 'General case' 0 C--N 1.334 -0.086 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.617 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 84.5 p -63.33 -39.69 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.048 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -70.14 -38.73 75.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.86 -38.19 58.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.79 0.328 . . . . 0.0 111.447 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.79 81.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.007 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 14.5 tt -60.22 -34.29 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.62 -44.79 95.93 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.016 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.26 -36.64 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.086 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.5 -39.79 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.975 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.71 -37.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -99.55 21.37 12.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -128.04 17.77 6.66 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.314 176.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.925 0.393 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -132.45 154.18 50.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.954 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -84.22 104.9 14.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 111.651 -174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.27 136.46 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.376 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -55.98 -46.97 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.636 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 tt -62.76 -37.81 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.76 -42.48 92.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.08 -37.56 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.036 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.61 -35.64 81.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.43 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' CD1' HD21 ' A' ' 72' ' ' LEU . 83.7 mt -61.69 -39.28 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.067 173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.32 -35.45 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.179 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -58.85 -51.5 69.77 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.377 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -65.25 -41.38 94.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.418 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -61.24 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.86 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -42.85 99.36 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.37 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.97 -39.69 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.707 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.41 -48.02 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -55.41 -42.04 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.14 -58.85 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.161 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -8.41 55.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.0 t -59.05 -41.93 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 168.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.7 -37.94 80.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.094 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.7 -40.22 92.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.529 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.83 -42.77 99.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -42.71 99.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.491 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.95 -44.08 94.63 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -64.41 -44.53 90.96 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.929 173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.25 -42.83 74.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.044 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.26 -39.16 92.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.25 85.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.12 -45.46 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.374 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.44 -48.67 78.64 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.895 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -38.32 71.1 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.827 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.85 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.734 175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -58.69 -46.96 86.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.899 0.381 . . . . 0.0 110.656 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -64.12 -43.16 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.632 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -40.65 84.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.165 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.02 127.34 5.96 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.05 160.57 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.987 0.423 . . . . 0.0 111.833 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.1 t -75.92 163.13 27.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.286 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -57.22 -43.55 82.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.754 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -64.07 -45.24 89.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.961 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.09 -34.92 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.73 -41.69 67.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.761 0.315 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.13 -40.07 93.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.72 -38.72 82.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.64 -41.32 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.0 -43.07 99.62 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.152 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.81 -43.97 97.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.889 0.376 . . . . 0.0 110.085 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.34 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -60.53 -41.45 94.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.62 -54.85 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -61.17 -40.01 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.854 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -42.27 90.3 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.9 m -64.58 -39.64 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD13 HD23 ' A' ' 136' ' ' LEU . 82.7 mt -64.14 -33.85 76.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.89 -39.5 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.115 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -69.84 -46.49 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 17' ' ' ALA . 11.8 tt -65.5 -35.26 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.785 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.81 -42.72 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.54 -41.19 93.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.593 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -41.04 96.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.802 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 p -65.58 -38.33 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.559 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -60.6 -40.56 92.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.97 -36.02 81.27 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.107 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.25 60.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 110.222 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.18 -30.07 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.796 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -56.43 -47.19 79.58 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.74 -36.93 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 10' ' ' ILE . 79.2 mt -63.99 -42.23 97.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -174.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.17 -49.78 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -55.18 -43.53 74.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.123 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -87.76 -0.16 56.56 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 56.37 46.53 20.75 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.938 -0.476 . . . . 0.0 111.592 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -84.75 119.58 25.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.9 148.79 20.36 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.24 114.75 2.97 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 119.337 1.569 . . . . 0.0 112.065 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.2 p -65.44 -32.29 73.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.705 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 t -68.71 -6.05 23.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -64.08 152.97 38.95 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.287 0.565 . . . . 0.0 111.549 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.66 -53.32 40.1 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 149' ' ' GLU . 4.1 tt -62.35 -26.18 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -168.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.4 mm -57.43 -46.28 85.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.936 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.92 -36.13 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.247 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -59.84 -35.28 74.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.234 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.8 mm -60.27 -50.48 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.091 0.472 . . . . 0.0 110.28 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -65.4 -44.76 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.173 -172.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -62.98 -42.54 99.87 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.776 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.46 -43.42 84.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 110.385 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -39.07 76.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.744 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.38 -45.43 94.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.031 0.443 . . . . 0.0 110.106 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.67 -33.83 73.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.355 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.76 -52.64 55.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.441 -173.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.7 -37.19 85.76 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.628 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.76 -39.11 76.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.059 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.93 -36.27 78.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.779 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.6 t -66.87 -43.18 89.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.01 -44.01 87.02 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.154 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.52 -31.1 63.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.236 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.49 89.98 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.214 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.07 -39.06 91.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.627 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.66 -69.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.221 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -54.07 -35.9 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.764 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.15 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -73.76 -38.01 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 174.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -55.96 -43.65 77.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.438 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.98 -40.14 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.505 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -65.02 -50.5 66.02 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.195 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.01 -37.17 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.966 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.83 92.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.459 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.0 p -69.94 -36.5 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.541 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -58.78 -45.64 89.35 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.084 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -64.9 -34.31 78.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.338 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.08 48.08 1.03 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.0 142.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -53.98 150.98 7.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.2 p -62.96 -32.16 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -61.55 -39.22 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.152 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.77 -38.46 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.23 -32.83 71.51 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.499 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -53.91 -44.35 70.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -57.97 -45.09 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.43 -41.13 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.0 pt -71.54 -32.31 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.987 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -63.08 -42.32 99.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.968 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.32 -46.38 83.79 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.2 tp -53.32 -45.32 68.99 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.261 176.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.91 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.424 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.9 -42.12 77.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.422 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mm -58.78 -41.78 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.9 mm -60.07 -54.17 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.5 -41.26 63.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.3 -41.28 98.38 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.333 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD23 HD13 ' A' ' 58' ' ' LEU . 30.1 tp -69.07 -35.0 76.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.276 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.5 -41.6 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -60.5 -39.21 86.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.92 -52.96 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.548 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' HG ' ' A' ' 136' ' ' LEU . 1.7 mp -58.58 -43.7 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -51.93 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 0.0 110.04 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.76 -40.97 96.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.233 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 37.7 p -64.79 -40.96 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.862 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.92 -41.1 77.55 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.329 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.51 -37.21 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.401 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -64.23 -43.57 94.55 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.678 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.28 -35.56 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.422 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.25 -55.03 38.3 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.142 0.496 . . . . 0.0 110.689 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.543 ' HB2' HD13 ' A' ' 84' ' ' ILE . 79.6 mm-40 -63.26 -39.09 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.951 -174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 61.7 tp -55.81 -44.85 78.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.37 -41.58 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.796 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -65.41 -40.61 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.263 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -110.31 30.06 7.11 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -172.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.589 174.739 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.053 0.454 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -131.45 158.34 41.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.535 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -85.84 119.73 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -165.33 159.78 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.726 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.78 -39.42 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.514 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.737 HG23 HD12 ' A' ' 7' ' ' ILE . 4.7 tp -61.56 -30.62 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 HG23 ' A' ' 6' ' ' ILE . 1.6 mp -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -68.03 -43.84 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.614 -175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.67 -38.4 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.62 -48.04 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.559 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -54.79 -55.35 31.06 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.069 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -82.77 -2.67 55.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.94 -44.2 73.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 161.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.06 -38.78 92.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.074 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.67 -37.99 88.61 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.785 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.5 -35.75 76.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.079 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -54.44 -41.86 69.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.081 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.37 -46.39 86.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -174.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -86.64 -40.36 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.145 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' ALA . 62.6 t -59.59 -42.55 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.5 -37.82 87.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.76 -41.33 98.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.71 -36.73 79.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.754 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.58 -38.84 78.75 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -59.74 -41.92 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.215 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 31' ' ' VAL . 23.1 mtmt -76.11 -41.84 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.422 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.46 -44.37 80.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.569 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.92 -37.93 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.041 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.74 90.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.116 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 27' ' ' LYS . 83.9 t -59.15 -39.1 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -57.9 -46.58 84.74 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.055 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.76 -38.95 90.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.714 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.47 96.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.496 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 m -59.24 -39.96 84.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.686 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -59.51 -37.16 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.071 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.11 -0.35 50.35 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.91 66.73 2.1 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.65 -27.43 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -111.34 148.86 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.069 0.461 . . . . 0.0 110.812 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -59.4 -33.83 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.699 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.62 -40.9 69.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -68.7 -41.54 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.195 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.735 0.302 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.95 -39.65 86.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.579 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -56.06 -36.08 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.88 -33.41 75.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.74 -51.24 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -167.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.92 -38.91 92.88 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.528 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -64.09 -41.85 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.284 . . . . 0.0 110.619 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 31' ' ' VAL . 95.8 mt -64.18 -39.69 94.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.648 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.455 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.83 -44.84 86.72 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.584 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.63 -43.78 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.057 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.68 -57.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.015 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -58.94 -37.15 76.06 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.22 -175.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -59.21 -44.06 92.29 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 136' ' ' LEU . 45.3 mt -65.72 -37.88 87.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.953 -178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 56' ' ' THR . 90.3 mt -53.75 -44.77 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.608 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.58 -37.85 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.919 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.09 -47.33 94.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.6 -42.62 94.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.304 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.13 -53.72 28.06 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.91 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.837 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -66.19 -40.46 90.46 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.451 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.78 -43.05 97.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.52 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.92 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.433 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.22 73.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.591 -175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.78 -37.2 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.792 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -60.12 -30.54 69.34 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.857 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -61.54 -38.57 87.93 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.805 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.11 -39.73 95.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.636 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -71.54 -43.69 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.357 0.598 . . . . 0.0 110.399 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.25 -51.63 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.897 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -101.49 35.12 2.37 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.319 174.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 10.95 80.02 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.304 1.842 . . . . 0.0 115.815 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -105.09 137.54 42.69 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 167.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.69 -171.36 7.12 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -67.64 118.26 5.47 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.409 1.406 . . . . 0.0 112.165 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -65.72 -36.99 85.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 176.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.9 t -116.46 133.87 55.51 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -169.71 167.7 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.3 -45.17 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.648 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 84' ' ' ILE . 1.8 mp -58.61 -49.36 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.9 mm -53.38 -46.8 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.687 0.28 . . . . 0.0 111.142 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.98 -40.78 91.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.663 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.4 -37.06 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.321 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.05 -53.04 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -56.98 -36.04 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -173.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -56.91 -42.61 80.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.206 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.18 -45.08 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.629 -174.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.11 -39.22 89.78 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.808 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.15 -34.44 78.06 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.084 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.03 -40.93 97.4 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.565 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -59.88 -45.34 92.81 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.31 13.37 15.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -35.8 11.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.266 162.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.9 t -64.92 -49.81 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.74 -31.19 72.08 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.344 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.8 -37.9 74.56 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.122 171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 99' ' ' VAL . . . -68.61 -39.85 80.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.15 -39.66 93.3 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.97 -48.86 78.48 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.298 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 109' ' ' VAL . 59.1 mtt85 -62.09 -34.85 77.08 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.042 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 tp -59.1 -42.28 90.13 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.64 -40.43 88.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.84 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -60.67 -36.82 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.786 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 105' ' ' ARG . 74.1 t -65.67 -43.27 93.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.95 -44.53 96.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.71 -38.71 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.41 74.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.471 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.8 p -64.43 -36.73 85.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -62.08 -51.31 68.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.443 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.1 52.91 1.42 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.39 169.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.0 t -57.58 145.73 32.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.5 p -62.53 -35.39 79.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.69 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -64.71 -44.83 89.0 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.424 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.23 -39.77 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.398 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.48 -43.38 79.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.402 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.12 -35.75 79.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.293 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.28 -47.19 69.35 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.2 -38.95 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.222 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.21 -43.51 95.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -64.08 -40.33 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.17 -33.05 63.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.511 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.61 -38.64 69.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.441 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.48 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.703 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.32 -40.69 96.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.315 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.65 -42.48 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.267 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.9 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.581 -177.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.71 -41.88 70.84 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.576 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -38.28 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.468 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.758 HD23 HD13 ' A' ' 58' ' ' LEU . 46.2 tp -64.53 -34.6 78.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.247 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.71 -42.43 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -34.46 61.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.01 -172.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.95 -42.05 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.956 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.56 -38.34 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.86 -51.89 68.09 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.873 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -59.61 -36.47 76.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.5 m -63.9 -51.44 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.35 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.67 -43.68 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.267 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.64 -36.61 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.121 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.12 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.051 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.55 -40.61 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.424 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -59.42 -44.51 92.87 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.003 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.42 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.662 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.52 -40.02 89.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.47 -42.41 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -60.39 -39.18 86.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -65.97 -26.13 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.378 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.713 0.292 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -62.55 144.74 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -72.32 141.03 48.83 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.67 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.19 147.72 25.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.431 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.68 -38.31 84.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.303 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mm -57.17 -51.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -63.65 -33.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.749 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.95 -39.13 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.731 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.24 -39.59 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.626 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.15 -54.29 34.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -56.42 -45.95 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.977 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.82 -34.33 78.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.77 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -57.62 -43.78 85.05 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -65.83 -35.75 81.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.977 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.98 -39.15 88.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.37 -41.86 93.36 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.443 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.52 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.359 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -51.3 -43.7 61.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.636 -174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -54.92 -49.9 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.546 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.04 -37.15 86.67 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.679 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.76 -39.14 80.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.203 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.07 -40.1 71.8 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.29 -40.81 78.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.739 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.61 -35.21 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.3 pt-20 -75.86 -32.57 59.8 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.112 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -60.44 -43.05 97.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.666 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.5 mtmt -62.57 -40.42 96.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.281 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.26 -48.08 81.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.9 -36.19 80.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.731 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.72 98.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 51' ' ' LEU . 55.8 t -68.39 -44.11 83.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -58.87 -43.35 90.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.248 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.77 -42.52 90.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.119 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.22 70.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.171 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -61.47 -37.2 82.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.734 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.62 -42.82 98.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.894 0.378 . . . . 0.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -67.34 -40.49 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.166 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 54.05 2.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -175.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -60.74 173.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.282 -0.459 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -76.05 159.36 30.87 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -70.28 -41.0 73.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.98 -43.36 92.87 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.484 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -61.97 -36.63 82.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.503 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 47' ' ' LEU . 13.2 tp -54.99 -34.91 63.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.604 -174.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.01 -37.67 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 111.6 -173.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -57.28 -36.41 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.585 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 44' ' ' LEU . 74.7 mt -62.01 -35.05 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -174.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -57.75 -43.84 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.4 mp -62.59 -41.56 99.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.436 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.35 -42.89 96.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 31' ' ' VAL . 72.6 mt -60.21 -40.4 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.73 89.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -59.81 -38.87 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.719 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.23 -42.86 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.8 mp -63.26 -60.91 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m -52.86 -43.31 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.657 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.4 m -63.16 -42.42 99.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.522 -177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 140' ' ' ILE . 96.1 mt -71.75 -32.33 67.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -174.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.9 mt -55.77 -39.32 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -64.21 -42.04 96.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.161 0.505 . . . . 0.0 110.349 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.91 -47.11 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.333 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.44 -41.56 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.052 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -67.8 -42.17 82.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.76 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.99 -43.89 94.34 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.662 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.0 p -66.91 -37.69 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.649 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.5 -40.51 75.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -64.21 -41.1 97.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.493 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.29 96.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.364 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.91 -42.7 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.748 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -76.52 -27.71 56.1 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.842 -178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.15 -38.71 87.42 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.546 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.63 -47.7 68.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.97 -43.01 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.581 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -58.81 -40.37 83.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.518 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.46 -1.48 57.54 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 62.54 44.24 7.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.157 0.503 . . . . 0.0 111.916 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.07 -2.26 56.75 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.56 177.78 16.44 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.41 142.82 41.67 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 CA-C-N 118.943 1.371 . . . . 0.0 111.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.1 p -59.32 -40.36 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.77 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 t -157.31 129.58 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.954 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -154.37 163.83 39.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.219 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -65.48 -38.12 88.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mm -58.8 -51.45 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.268 -174.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 pt -59.82 -32.16 49.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.819 -170.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.671 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.31 -43.35 99.02 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -62.58 -39.2 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.912 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.52 -50.69 72.85 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.504 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -65.9 -35.47 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.894 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.32 -41.53 72.55 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.44 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -65.11 -44.33 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.77 -51.95 67.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.403 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.1 -39.49 78.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.485 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.89 88.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.404 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -71.32 -40.19 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.7 -38.92 92.64 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.369 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -58.82 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.635 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.21 -37.48 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.24 -44.33 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.482 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -73.31 -37.49 66.17 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.269 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.39 82.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.22 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.22 -40.78 96.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.717 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.3 -48.56 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.35 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.1 mpt_? -60.39 -40.66 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -43.99 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.407 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.52 -37.42 84.99 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.21 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -61.29 -38.64 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.087 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 105' ' ' ARG . 90.1 t -64.55 -44.87 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.38 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -63.15 -52.96 60.39 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.678 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -59.28 -37.14 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.475 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -72.7 -37.0 67.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.378 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -59.25 -43.26 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.592 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -94.56 2.94 55.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.11 52.51 4.86 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.339 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.99 136.34 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.2 m -55.09 152.46 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.1 p -61.34 -36.47 80.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.529 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -64.39 -43.06 95.62 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.928 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -71.17 -39.12 72.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.828 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.37 -41.52 98.69 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.313 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.96 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.64 -40.25 78.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.806 0.336 . . . . 0.0 110.707 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.82 -40.38 95.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.576 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.5 -42.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -57.8 -45.37 86.15 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.34 -40.03 93.13 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.284 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.65 -38.28 84.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.719 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.707 0.289 . . . . 0.0 110.814 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.67 -38.72 91.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.14 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -47.15 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 78.3 mt -66.4 -36.33 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.74 -43.17 76.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.876 0.369 . . . . 0.0 110.732 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.71 -35.57 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.324 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.84 -54.9 41.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.55 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 25' ' ' GLU . 19.3 tt -64.38 -33.45 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.018 -171.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -59.61 -40.79 88.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.53 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.94 -41.99 91.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.523 HG13 HD22 ' A' ' 58' ' ' LEU . 42.1 mm -64.35 -42.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.758 0.313 . . . . 0.0 110.188 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -62.78 -46.24 88.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.5 m -63.68 -45.47 89.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.882 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -62.13 -48.46 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.603 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.61 -36.26 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.846 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.2 65.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.415 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -48.38 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.84 -44.8 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.935 0.397 . . . . 0.0 109.99 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.29 -36.83 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.1 -42.19 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.662 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.76 -40.84 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.799 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -66.71 -40.73 88.58 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.54 86.08 2.35 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.115 0.484 . . . . 0.0 110.629 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 117.875 -1.059 . . . . 0.0 109.864 172.409 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.076 0.465 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -133.44 148.24 51.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.598 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -82.36 115.77 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -152.17 153.2 33.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.761 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.68 -40.73 84.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.162 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 7' ' ' ILE . 3.4 tp -67.36 -47.62 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.454 -175.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' N ' HG23 ' A' ' 6' ' ' ILE . 45.1 mm -61.53 -44.96 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.888 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.55 -35.61 81.36 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.91 -47.21 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.404 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.02 -47.56 91.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.629 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.07 -41.35 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.702 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -59.62 -46.43 89.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.67 -35.48 78.09 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.622 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -59.72 -41.18 90.29 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.005 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.48 -41.78 68.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.09 -39.7 93.34 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.572 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.27 -45.64 79.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -55.07 -43.31 73.78 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.612 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -46.67 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -69.42 -30.6 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.383 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.0 t -57.97 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.69 -36.63 67.36 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.944 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.17 -45.33 93.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.458 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.85 -35.61 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.24 -36.25 69.05 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.815 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -56.33 -45.13 80.47 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.9 174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -65.63 -41.67 92.38 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.325 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.39 -41.74 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.721 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.97 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.941 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.89 -36.49 70.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.55 -46.64 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.448 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -65.02 -49.69 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.426 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.88 -37.72 77.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.405 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.22 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.163 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 p -64.37 -39.83 94.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.603 -175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -85.25 2.39 44.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -91.75 8.64 36.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 164.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.4 132.43 7.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -105.36 133.88 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.14 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -118.68 156.81 28.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.778 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -56.31 -42.4 77.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.363 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.61 -40.34 73.24 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.997 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -65.57 -35.63 81.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.37 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.53 -38.83 64.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.786 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.56 -49.42 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.72 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 49' ' ' LEU . 16.0 p30 -77.82 -28.9 50.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -170.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.48 -39.47 91.05 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.269 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -38.73 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 46' ' ' ASN . 35.0 mt -62.6 -41.69 99.12 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.849 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -64.14 -42.98 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.92 0.39 . . . . 0.0 110.319 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 129' ' ' LEU . 59.4 mt -64.72 -38.94 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.056 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.45 79.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.36 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.11 -43.14 95.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' LEU . 16.4 tt -67.14 -30.11 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.954 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -59.47 -50.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.1 m -61.75 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.043 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -64.69 -43.53 93.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.01 -50.75 71.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.165 -173.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 tt -58.5 -29.15 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.0 -45.39 81.72 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 2.4 mp -64.1 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.96 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 95' ' ' ALA . 1.9 mm -58.29 -46.77 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -65.09 -46.37 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.22 -35.95 82.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.071 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m -58.71 -43.04 89.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.906 0.384 . . . . 0.0 110.116 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -63.71 -38.87 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.843 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.75 -37.03 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.064 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.38 -56.45 21.32 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.778 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tp -62.3 -32.84 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.327 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.12 83.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.605 0.24 . . . . 0.0 111.255 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 6' ' ' ILE . 78.0 mm-40 -63.82 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 111.304 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.12 -44.66 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.19 -46.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.69 -40.5 88.07 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.574 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.22 6.21 34.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 67.14 20.16 10.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -75.83 -35.59 59.93 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.642 0.258 . . . . 0.0 111.308 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.8 164.41 39.07 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -175.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -91.09 104.86 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 122.057 1.838 . . . . 0.0 111.055 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p -69.53 159.81 32.64 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.519 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.1 m 63.66 6.03 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.95 118.58 37.24 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -67.46 -9.25 40.15 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 85' ' ' ILE . 3.1 tp -57.19 -35.94 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.257 0.48 . . . . 0.0 110.553 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.542 HD12 HG23 ' A' ' 84' ' ' ILE . 1.5 mp -61.09 -41.31 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 175.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.03 -37.31 86.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.827 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.89 -40.39 91.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.266 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -49.24 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -57.34 -41.72 80.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -58.15 -51.34 70.15 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -52.95 -41.75 64.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.676 -174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.52 -38.46 91.08 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.67 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.043 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -69.45 -41.94 75.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 62' ' ' ILE . . . -55.11 -43.04 73.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.385 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' HB3' HG21 ' A' ' 62' ' ' ILE . 29.4 ptt-85 -92.59 13.19 20.64 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -91.93 -40.2 11.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 158.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HB2' HD13 ' A' ' 136' ' ' LEU . 67.4 mmtt -57.13 -31.41 65.3 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.396 171.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 95' ' ' ALA . 93.9 t -63.29 -44.22 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.1 -40.17 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.587 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.95 -38.69 89.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.579 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.76 99.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.276 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.37 -43.8 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.14 -46.5 75.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.621 ' HD2' HD11 ' A' ' 132' ' ' ILE . 59.2 mtt85 -78.32 -24.62 46.53 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.5 tp -61.41 -35.86 78.7 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.482 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.146 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -61.0 -47.88 84.4 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.07 -35.77 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.006 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -57.13 -45.7 83.3 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.251 0.548 . . . . 0.0 109.972 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.5 -37.44 86.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.41 79.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -35.18 78.51 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.779 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -57.95 -51.3 70.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 111.116 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.84 -36.8 41.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 -172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.68 56.83 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.446 -1.061 . . . . 0.0 110.446 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.57 143.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.1 m -53.87 148.49 10.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.044 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -58.21 -41.6 84.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.701 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.62 -37.57 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.66 -43.61 89.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.13 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.55 -39.98 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.889 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.99 -40.49 93.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.139 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.2 -42.96 93.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.942 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.25 -37.7 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.349 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -61.8 -50.56 71.82 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.7 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -58.71 -49.65 76.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.419 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 51' ' ' LEU . 42.1 tp -57.58 -38.28 74.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.567 177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.69 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.099 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.1 -37.27 82.14 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.621 HD11 ' HD2' ' A' ' 105' ' ' ARG . 68.1 mt -58.41 -43.53 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.053 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 54' ' ' ILE . 24.7 mm -63.77 -57.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -54.77 18.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 121.261 -0.176 . . . . 0.0 110.989 -173.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.5 -39.02 75.55 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 98' ' ' LYS . 59.5 tp -60.5 -40.84 92.83 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.796 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.9 -37.42 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.31 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -59.55 -40.62 87.84 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.596 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.87 -56.86 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.72 -35.58 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.997 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.74 -46.79 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.831 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -77.73 -39.2 45.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.593 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -55.75 -45.06 78.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.924 0.392 . . . . 0.0 110.806 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -69.35 -34.52 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.666 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.11 95.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.344 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.54 -37.35 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.632 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -58.72 -41.29 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.868 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -57.89 -37.02 73.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.611 -172.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.4 mt -59.16 -39.42 82.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 44.4 mm -74.8 -34.67 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.481 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -67.2 -13.02 61.57 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -123.17 42.22 3.26 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.065 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.431 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -132.33 143.36 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -132.64 148.79 52.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.336 0.589 . . . . 0.0 111.916 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.85 166.03 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.744 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -57.84 -42.85 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.511 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.23 -38.08 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.715 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.5 -38.24 55.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.795 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.31 -37.74 75.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.955 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.98 -40.72 95.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 110.64 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.21 -49.19 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.38 -45.89 87.42 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.528 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.81 -34.43 75.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.592 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -63.02 -42.41 99.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -69.76 -42.39 73.91 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.21 -33.97 76.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.358 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.05 -41.7 90.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.02 97.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.164 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -52.83 -41.42 64.21 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 tp -63.18 -46.86 85.13 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.542 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -70.33 -33.94 72.08 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.708 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.01 -44.4 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.36 -39.88 85.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.639 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.69 -49.96 64.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 mmt -61.77 -34.78 76.48 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.265 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.53 -36.85 74.5 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -61.21 -39.37 89.96 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.373 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -61.59 -43.98 97.86 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.202 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.97 -42.47 76.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 0.0 110.353 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.15 -37.41 87.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.769 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.34 87.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.569 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.94 -51.19 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.104 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -61.63 -37.51 84.25 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.882 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.73 -40.7 96.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 110.554 176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.96 63.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.602 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.5 p -57.12 -36.77 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.153 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.75 -44.19 97.01 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.274 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.39 -36.7 77.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.386 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.94 136.55 6.3 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.12 147.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.835 0.35 . . . . 0.0 110.993 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -56.47 151.49 13.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.768 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -58.16 -43.56 87.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -60.68 -37.47 81.73 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.97 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.54 7.47 41.21 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.56 -33.68 74.27 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.982 -0.449 . . . . 0.0 111.137 172.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.89 -37.56 85.06 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.81 -27.77 67.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.243 -169.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.55 -43.33 84.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 109.919 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.41 -44.15 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.541 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.15 -42.68 91.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.536 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.2 -45.29 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.064 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 133' ' ' ILE . 33.5 mt -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.828 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.37 95.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.624 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.08 -39.94 75.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.86 -52.41 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.634 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG21 ' OE1' ' A' ' 103' ' ' GLU . 71.9 mt -57.42 -41.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.526 -175.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 59' ' ' ILE . 77.9 p -67.24 -35.86 80.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.2 m -70.35 -43.69 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.346 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 61' ' ' ILE . 95.6 mt -64.78 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' THR . 18.8 tt -55.06 -33.58 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.429 -176.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.93 -42.12 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.083 0.468 . . . . 0.0 110.287 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 76.9 mt -70.8 -35.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.123 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.45 -53.28 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.1 -39.52 82.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.86 -41.93 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.149 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p -79.04 -33.68 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.619 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -42.69 98.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.12 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.83 -33.51 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.472 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.63 83.21 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.537 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.42 -41.12 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -59.45 -42.79 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.956 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.95 -37.76 84.87 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.29 -42.36 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.788 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.5 pt -86.29 -32.99 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.631 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.37 -43.1 98.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.754 0.312 . . . . 0.0 110.272 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -83.1 12.83 4.61 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 38.4 29.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -81.52 -50.58 9.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.58 175.3 7.5 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 174.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.09 141.76 84.59 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 CA-C-N 118.992 1.396 . . . . 0.0 112.124 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.0 p -60.12 -41.08 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -149.91 133.36 16.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.735 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.38 147.25 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -85.06 -24.43 28.13 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.39 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.8 mm -56.3 -38.04 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.648 0.261 . . . . 0.0 110.597 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.58 -41.56 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.005 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.08 -36.49 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.062 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.14 -46.09 90.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.088 0.47 . . . . 0.0 109.984 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.5 mt -62.56 -34.0 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.871 -176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.37 -43.6 83.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.44 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -59.9 -42.52 94.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.207 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.95 -41.6 87.84 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 99.9 mm-40 -63.92 -44.44 92.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.28 -43.45 96.23 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.608 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.39 -34.09 73.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.867 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -61.26 -39.13 89.19 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.321 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.36 -44.45 95.57 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.615 0.245 . . . . 0.0 110.875 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -64.97 -49.89 68.53 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.462 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -56.59 -35.24 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.846 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.16 -47.08 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.14 -40.44 89.8 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.08 -40.25 78.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 110.845 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.24 92.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' HG21 ' A' ' 55' ' ' ILE . 70.3 mm-40 -61.63 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.515 177.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.94 -55.8 15.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.361 . . . . 0.0 111.048 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.31 -30.15 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.111 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.31 -42.63 87.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.55 -32.71 71.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.508 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -58.13 -43.87 87.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.752 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.69 -45.79 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -62.58 -40.83 98.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.31 -41.89 93.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.98 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 m -61.46 -45.06 95.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.236 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.68 -44.65 89.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.653 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -63.0 -34.17 76.97 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.346 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.36 41.79 2.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.35 139.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.4 t -57.1 149.09 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 t -58.24 -34.25 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.37 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.56 -60.09 3.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.625 0.25 . . . . 0.0 110.846 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -63.25 -38.41 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.078 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.03 -39.34 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.125 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.11 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.675 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.76 -39.89 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.856 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.97 -45.22 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.733 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.279 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.74 -39.67 92.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.714 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.808 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.71 -25.46 62.09 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -67.91 -44.87 84.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 89.5 mt -61.1 -37.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.903 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.06 -52.0 65.83 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.209 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.81 -37.43 76.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.1 -41.51 92.71 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.5 mm -65.75 -35.37 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.261 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -59.8 -44.01 94.17 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.351 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.8 mt -73.04 -42.73 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.497 -0.764 . . . . 0.0 112.233 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.04 -50.64 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 119.054 0.843 . . . . 0.0 110.24 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -58.85 -40.28 83.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.143 0.497 . . . . 0.0 110.247 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.0 -44.38 96.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.938 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 p -72.39 -43.07 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' A' ' 147' ' ' ILE . 6.0 p30 -73.09 -21.52 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.63 -37.75 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.365 169.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.54 81.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 144' ' ' ASN . 71.2 mt -59.8 -40.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -60.55 -33.8 73.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.613 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -57.59 -36.29 71.54 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 74.2 mt -55.89 -42.6 76.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.54 -41.58 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.292 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -95.69 32.92 1.73 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.62 47.09 1.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.409 1.1 . . . . 0.0 108.281 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.368 -174.161 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tmm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.439 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -134.62 157.45 46.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.418 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -67.99 99.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.85 126.57 41.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.98 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.74 -36.42 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.671 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 75' ' ' ASN . 7.8 tt -54.27 -30.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.645 ' HA ' HD11 ' A' ' 151' ' ' ILE . 68.1 mt -60.36 -48.39 88.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.62 -41.78 79.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.415 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.58 -44.37 93.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.166 -173.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD12 ' HB1' ' A' ' 68' ' ' ALA . 43.7 mm -70.42 -47.54 65.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -53.29 -53.67 47.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.544 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -61.41 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.699 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -60.25 -41.96 94.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.572 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.6 -37.7 77.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.23 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.73 -44.28 90.66 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.666 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -71.49 -30.48 66.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.232 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.3 -47.61 70.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.3 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -54.05 -41.13 67.76 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.22 -175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.89 -47.27 80.89 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.442 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -62.44 -45.08 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' ALA . 86.7 t -56.36 -40.35 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.63 -46.69 65.64 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.411 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.94 -49.51 77.57 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.746 -0.381 . . . . 0.0 111.751 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -62.57 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.88 -39.52 92.23 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.545 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.92 -37.49 84.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.663 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.02 -47.76 84.5 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.782 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.86 -42.29 93.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.94 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.53 -36.33 83.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.996 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.74 99.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.678 0.275 . . . . 0.0 110.357 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.4 -44.31 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.424 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -59.42 -44.45 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.9 69.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 p -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -65.29 -60.42 3.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.91 0.386 . . . . 0.0 111.533 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -60.41 -33.94 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.799 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.01 136.95 5.2 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.16 162.09 40.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -98.67 157.98 15.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.131 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -55.88 -38.72 70.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -64.22 -39.17 93.41 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.661 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -89.92 -18.41 26.16 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 44' ' ' LEU . 8.5 tt -56.36 -39.79 73.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.94 -40.86 63.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.476 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.83 -35.87 71.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.15 -37.84 88.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -173.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.37 -45.28 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.694 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.27 -41.6 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.337 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -59.71 -45.49 92.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.328 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 54' ' ' ILE . 30.1 mt -62.34 -37.72 86.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.874 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.22 94.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.346 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -64.93 -43.81 91.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 51' ' ' LEU . 67.3 mt -59.69 -60.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.266 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.13 -42.75 66.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.783 -174.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 m -60.7 -43.68 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.104 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.0 m -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.189 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -37.12 86.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.976 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mt -56.98 -44.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.999 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -58.49 -45.52 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.269 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.07 -50.34 76.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 HD21 ' A' ' 66' ' ' ASN . 68.7 mt -56.79 -40.49 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.82 -35.99 77.91 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.289 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -69.45 -44.7 70.74 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.779 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -46.54 88.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 -176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.435 HD21 HG22 ' A' ' 62' ' ' ILE . 87.1 m-20 -58.11 -45.11 87.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.452 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.09 -39.37 93.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.723 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 10' ' ' ILE . . . -64.33 -44.64 90.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.98 -46.35 88.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.707 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.27 -43.74 67.69 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.708 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.26 -25.52 55.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.052 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.76 -38.2 81.14 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.171 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.98 -46.79 95.4 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.142 0.496 . . . . 0.0 109.872 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -60.48 -37.3 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.539 -175.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.618 ' HB2' HD13 ' A' ' 6' ' ' ILE . 42.5 m-80 -103.3 23.63 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -75.93 110.18 10.17 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.344 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -60.18 -43.14 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.33 -165.48 34.63 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 121.72 6.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.425 1.417 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -55.65 -36.09 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.087 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 m -116.35 143.93 44.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -168.7 168.42 10.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.61 -44.75 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.994 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.11 -45.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.0 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.088 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.16 -40.05 95.31 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.848 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.97 -32.95 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.836 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 pt -76.91 -27.75 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -85.91 -39.2 17.22 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.462 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -58.09 -37.78 75.16 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.384 174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.32 -39.76 64.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.982 0.42 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.48 -37.14 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.69 -45.26 94.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 110.816 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -34.38 77.18 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.05 -34.64 60.57 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 121.445 -0.102 . . . . 0.0 111.24 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -52.97 -45.82 67.97 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.838 0.351 . . . . 0.0 111.042 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -65.53 -44.79 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 136' ' ' LEU . 71.4 mmtt -55.91 -35.26 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.088 -178.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -48.04 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.043 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.27 -42.03 94.52 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -72.49 -32.84 66.51 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.693 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.262 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -70.51 -42.75 70.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.934 0.397 . . . . 0.0 110.121 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.24 -52.98 59.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 64.8 mtt85 -66.98 -32.24 73.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.78 -40.61 84.48 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.208 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.69 -38.48 86.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.931 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -62.68 -39.6 94.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.936 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -65.04 -44.16 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -61.62 -41.49 97.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.38 -40.58 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.49 90.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.4 m -61.07 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.088 0.47 . . . . 0.0 110.411 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -63.32 -42.74 99.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.83 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -72.5 -44.86 61.66 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.294 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.11 53.1 0.32 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.16 143.68 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.7 p -56.64 155.3 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.742 -176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -66.94 -39.74 87.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.468 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -63.43 -46.83 84.52 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.694 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -66.74 -37.33 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.666 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.69 -41.72 82.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.333 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.37 -38.07 88.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.004 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.27 -39.1 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.954 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.07 -39.53 90.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.858 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 126' ' ' ILE . 2.7 mp -64.35 -42.2 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.065 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.57 -38.84 84.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.815 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.78 -40.24 96.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.89 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.73 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.55 -46.44 88.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.025 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.14 -40.87 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.328 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.2 mm -59.39 -42.4 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.39 -43.82 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.455 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.62 -42.28 92.33 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.865 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 98' ' ' LYS . 75.3 mt -58.97 -37.91 77.89 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.626 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.96 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -60.2 -48.79 80.26 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.87 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.5 mm -53.77 -47.71 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.778 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -55.9 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.615 -174.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -61.26 -39.49 90.55 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.459 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -53.28 -44.19 68.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.664 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.4 p -78.81 -33.33 46.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -58.18 -49.92 75.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.688 0.28 . . . . 0.0 110.968 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -68.04 -32.74 73.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.43 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.36 97.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.66 -35.11 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.16 -40.33 70.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.809 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -80.1 -25.11 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 48.0 tp -80.42 -62.52 1.65 Allowed 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.398 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 7' ' ' ILE . 7.2 tt -51.61 -21.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.077 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -51.82 -38.42 55.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.91 9.52 30.1 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -171.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.576 -178.877 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -133.73 154.04 51.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.093 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -74.76 131.99 41.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.321 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -174.46 147.47 1.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -61.81 -45.17 95.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.5 -40.06 83.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.489 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.18 -41.58 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.101 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.96 -42.61 97.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.21 -39.59 79.38 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.234 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.626 HG23 ' HB1' ' A' ' 68' ' ' ALA . 87.0 mt -56.13 -49.39 76.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.151 0.501 . . . . 0.0 110.097 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.49 -43.25 99.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.969 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -59.78 -41.82 91.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.426 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -63.16 -40.94 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.715 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.93 -39.23 84.77 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.341 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.05 -45.11 82.53 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.52 -44.49 90.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.413 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.535 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -53.97 -40.92 67.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.85 -56.93 13.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -65.89 -44.11 86.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.956 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.3 t -53.05 -35.42 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.89 -46.84 61.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -54.6 -51.04 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.398 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.27 -34.3 73.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -42.85 99.96 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.764 0.316 . . . . 0.0 110.149 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -59.53 -46.43 88.88 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.369 0.604 . . . . 0.0 109.608 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -64.32 -38.44 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.667 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.02 -42.2 89.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.629 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -58.34 -38.51 77.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.06 96.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.323 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.36 -42.43 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.296 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -53.38 -37.39 62.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.464 -175.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.08 72.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.553 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.0 t -85.79 -18.43 32.96 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -55.24 -30.87 60.91 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -141.74 167.51 21.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.299 0.571 . . . . 0.0 112.095 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.79 144.81 1.67 Allowed Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.13 -0.941 . . . . 0.0 113.518 -171.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.05 162.56 38.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.191 -0.505 . . . . 0.0 110.363 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.9 t -82.0 154.39 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.243 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 t -56.07 -37.88 69.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.612 -174.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -61.36 -45.17 95.49 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.34 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -65.88 -36.01 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.136 0.493 . . . . 0.0 111.549 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.75 -42.69 65.18 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.21 -38.69 92.17 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -171.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -78.53 -21.3 49.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -173.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.66 -41.98 95.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.977 0.418 . . . . 0.0 110.203 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.6 mt -64.73 -45.53 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.554 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.59 -41.74 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -65.08 -46.38 81.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.972 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.03 -35.5 80.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.03 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.77 95.04 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.078 0.466 . . . . 0.0 110.32 172.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.61 -30.3 69.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 133' ' ' ILE . 32.5 mm -58.86 -57.5 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.68 -37.24 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.1 m -64.04 -41.33 97.43 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.434 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.0 m -77.09 -44.61 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.589 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.87 -40.77 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.466 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.2 -33.35 60.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.293 -174.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.17 -43.03 96.13 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.091 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.5 mm -61.08 -40.69 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.045 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.16 -41.53 93.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.338 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.13 -44.85 78.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.4 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.26 -41.98 69.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.91 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -38.18 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -58.86 -41.8 87.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.454 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -35.98 82.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.626 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -61.64 -43.77 98.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.506 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.42 -44.53 99.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 0.0 109.979 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -57.83 -39.95 78.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -38.68 73.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 174.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.95 -43.44 91.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.4 pt -77.62 -26.65 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -73.11 -38.15 66.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 111.379 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -81.31 -26.32 35.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -103.26 -78.46 0.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -68.74 -38.83 80.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.749 0.309 . . . . 0.0 111.126 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.95 -169.35 12.87 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -78.93 8.23 3.89 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.336 1.357 . . . . 0.0 113.745 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 163.15 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -98.23 154.07 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.499 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -140.74 163.25 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -48.21 -51.36 25.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.399 -172.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 150' ' ' LEU . 12.0 tt -64.89 -35.11 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.601 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.64 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.229 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -56.36 -40.78 75.11 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.809 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -62.98 -40.7 98.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.232 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.34 -44.44 90.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.22 -43.32 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.435 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -61.74 -39.1 90.38 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.491 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -59.37 -38.88 81.57 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.325 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -65.41 -44.81 86.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.44 -43.02 75.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.093 -176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -64.55 -36.51 84.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.157 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -62.01 -46.18 90.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.433 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -57.29 -37.83 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.664 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -60.24 -51.79 68.07 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.12 -36.45 84.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 95' ' ' ALA . 88.7 t -57.82 -43.48 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.26 -43.82 97.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.372 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.57 -37.89 83.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.05 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.539 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.4 -39.26 93.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.91 -53.47 55.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.29 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 109' ' ' VAL . 8.2 mpt_? -57.91 -45.53 86.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.933 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 tp -55.83 -36.24 67.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.75 -43.83 35.57 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.806 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -59.52 -35.76 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.137 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 105' ' ' ARG . 79.1 t -59.31 -41.46 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.44 -43.83 97.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.656 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.38 -39.7 95.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.348 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.626 ' CB ' HD13 ' A' ' 122' ' ' LEU . . . -67.37 -46.6 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.689 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -70.83 -36.85 73.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -65.97 -38.14 87.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.361 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -92.76 -5.86 50.28 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 88.64 28.14 22.55 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.65 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.28 140.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.9 m -53.35 148.87 8.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.052 0.453 . . . . 0.0 111.453 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.0 p -72.23 -26.94 62.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.398 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.36 -47.02 85.15 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.883 -172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.22 -3.71 26.9 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.626 HD13 ' CB ' ' A' ' 112' ' ' ALA . 55.2 tp -60.69 -43.1 98.15 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 166.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 126' ' ' ILE . 55.0 mt -58.57 -36.24 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.25 -38.81 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.727 0.298 . . . . 0.0 110.798 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -36.74 79.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.914 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.681 HD12 HD23 ' A' ' 123' ' ' LEU . 87.1 mt -64.07 -44.56 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.938 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.436 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -57.65 -43.55 85.0 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.822 0.344 . . . . 0.0 110.424 172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.13 -39.31 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.037 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.57 97.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.873 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.74 -47.1 61.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.648 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.92 -41.39 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.452 HG21 HG21 ' A' ' 54' ' ' ILE . 18.4 mm -60.41 -42.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 173.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.17 -38.25 89.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 111.179 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.03 -37.91 78.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.971 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.12 -50.84 60.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.542 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -41.09 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.369 -172.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.55 -36.72 83.36 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.643 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.94 -38.97 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.005 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.52 -37.85 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.427 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -60.89 -54.4 45.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.326 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -36.38 84.1 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.516 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.0 p -63.54 -47.81 80.05 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -56.0 -40.6 73.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.508 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.08 -37.02 85.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.03 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.34 88.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.842 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.41 -55.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.76 -38.79 86.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.716 -171.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.48 -16.84 61.8 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 84' ' ' ILE . 53.9 tp -57.86 -37.73 74.44 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.593 0.357 . . . . 0.0 111.891 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.9 -23.99 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -170.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -59.57 -42.36 92.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -73.28 3.97 5.15 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 113.189 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.961 -179.282 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -77.44 163.85 26.0 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.447 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -99.75 -38.47 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -55.88 -38.41 70.12 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -172.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -83.25 134.98 34.92 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.966 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.877 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 tp -64.09 -39.68 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.974 -174.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.877 HD12 HG23 ' A' ' 6' ' ' ILE . 1.7 mp -60.48 -56.53 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.26 -30.3 71.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.445 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -58.0 -42.98 86.35 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.53 -46.51 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.39 -42.88 88.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.356 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.92 -41.65 98.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.095 174.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -44.49 89.83 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.554 -174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -66.24 -36.85 84.08 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.682 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.93 -42.38 99.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.879 0.371 . . . . 0.0 110.361 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.79 -35.48 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.24 -54.63 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.709 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -56.42 -36.83 69.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.414 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.28 -42.66 73.88 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.637 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -67.67 -45.02 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.669 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.1 -49.1 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.812 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.61 -34.0 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.257 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.93 -38.83 72.91 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.68 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 43.0 mtt -62.63 -44.15 97.02 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.532 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -37.26 82.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -73.76 -35.98 65.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.754 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -63.55 -53.88 44.85 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 170.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.9 -42.99 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.453 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -60.98 -40.34 93.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.268 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.84 89.03 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.033 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.08 -48.61 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.442 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -61.84 -41.36 97.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.233 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.7 -35.9 82.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.135 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.13 99.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.299 . . . . 0.0 110.909 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.6 p -67.4 -39.81 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.008 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.93 -37.85 88.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.331 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -96.73 -3.19 42.92 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -173.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.86 133.77 2.84 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.179 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -133.4 158.46 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.472 -0.364 . . . . 0.0 110.435 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -79.9 160.99 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 111.102 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.0 p -59.33 -39.49 83.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.823 -175.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.07 -40.77 98.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.327 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -29.77 70.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.87 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD21 HD23 ' A' ' 122' ' ' LEU . 21.0 tp -47.81 -42.76 26.88 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -174.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -60.02 -38.32 82.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -53.28 -38.01 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.333 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.38 -44.55 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.317 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.57 -48.16 82.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.836 0.351 . . . . 0.0 110.243 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.735 HD13 HD23 ' A' ' 129' ' ' LEU . 56.1 mt -64.15 -36.68 84.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.963 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 56' ' ' THR . . . -62.45 -36.02 81.12 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.913 176.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -67.69 -48.08 67.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 110.676 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.05 -49.28 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' LEU . 8.4 tp -59.98 -46.66 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.732 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 52' ' ' ALA . 46.3 p -61.75 -41.68 97.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.448 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -60.47 -42.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.106 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.27 -37.15 86.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.336 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -38.82 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.15 -40.37 82.38 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.923 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -65.81 -47.35 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.036 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.82 -31.73 48.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.393 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -70.96 -43.59 67.8 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.751 0.31 . . . . 0.0 110.812 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.98 -40.66 83.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 m -64.84 -53.02 53.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -44.71 71.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.313 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.88 -37.01 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.034 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.93 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.48 -42.09 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.06 -40.55 81.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.93 -39.44 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.822 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.1 -47.26 65.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.615 -177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -42.46 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.539 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -69.89 -34.51 73.63 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.357 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -55.61 -37.24 67.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.56 0.219 . . . . 0.0 110.632 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -84.26 18.42 2.19 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.1 mttt 69.25 53.57 0.44 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.21 171.92 38.42 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.191 165.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -66.09 147.07 83.68 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.492 1.461 . . . . 0.0 111.361 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -140.95 161.29 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.41 . . . . 0.0 111.284 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.1 t -81.66 11.16 4.99 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -56.53 141.19 43.79 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.907 -0.496 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.11 -53.16 60.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.169 -171.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.6 tt -64.53 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.548 -173.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.49 -40.12 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.492 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.43 -39.68 80.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.584 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -64.74 -41.48 95.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.927 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.22 -48.34 88.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.439 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.4 -47.83 77.68 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.248 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -63.76 -39.99 95.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.889 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.98 -41.49 96.51 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.586 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -39.0 93.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.96 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.22 -42.85 99.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.459 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.17 -36.88 85.49 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.27 96.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.445 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -59.7 -41.9 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.184 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.81 -38.15 82.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -85.7 -26.77 25.73 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.409 -0.516 . . . . 0.0 112.035 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.518 HG22 HD21 ' A' ' 136' ' ' LEU . 75.9 t -61.79 -41.28 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 167.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.21 -38.38 76.66 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.16 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.929 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.86 82.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.038 0.447 . . . . 0.0 109.888 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.08 -43.48 82.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.347 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.84 -46.51 84.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.795 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 57.7 mtt85 -74.4 -33.1 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.699 176.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.47 -42.69 92.64 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.14 -39.53 90.4 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.83 -38.56 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.745 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' ARG . 81.6 t -63.61 -44.33 98.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -58.7 -43.22 89.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.202 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.01 -52.06 66.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.171 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 p -63.04 -36.18 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -61.42 -39.52 91.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -94.1 3.17 55.68 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.1 53.34 4.51 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.541 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 112' ' ' ALA . 90.2 t -83.19 138.13 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 t -58.27 153.11 15.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.206 0.527 . . . . 0.0 111.074 -176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -62.36 -40.37 96.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.899 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -64.63 -47.9 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -75.49 -35.36 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.697 HD23 HD21 ' A' ' 44' ' ' LEU . 22.2 tp -54.6 -39.09 67.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.75 -38.2 77.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -54.64 -35.63 63.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.257 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.49 -39.67 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.18 -38.5 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -40.62 96.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.24 -46.04 90.62 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 51' ' ' LEU . 50.5 tp -59.12 -45.72 90.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.64 -38.15 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.203 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -89.91 -19.65 24.3 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.7 -38.75 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 170.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.74 -36.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 170.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.818 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -44.52 37.29 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.518 HD21 HG22 ' A' ' 99' ' ' VAL . 61.7 tp -52.57 -40.05 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.751 175.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 14.0 mm -59.08 -41.53 83.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -66.88 -40.9 87.95 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.051 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.35 -59.06 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.413 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -45.23 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.62 -44.05 89.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.448 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -63.83 -33.33 75.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 90.3 p -64.64 -42.17 95.64 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.323 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -43.24 78.63 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.73 -38.44 72.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.738 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.25 99.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.96 -45.47 95.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.35 -45.8 90.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.63 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.98 -34.31 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.168 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.43 -42.68 96.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.111 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 151' ' ' ILE . 1.7 mp -89.0 -37.85 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -54.34 -37.64 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.987 -0.097 . . . . 0.0 111.09 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.72 -68.0 0.17 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.856 0.723 . . . . 0.0 111.046 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.43 -178.054 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.994 0.426 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -138.01 -179.41 5.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.32 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p 48.39 34.55 4.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.975 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -107.24 -14.15 14.97 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.56 154.04 30.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 111.486 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 tt -60.5 -39.68 82.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.826 -175.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 tp -56.83 -37.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 111.363 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -65.34 -35.95 82.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.124 -177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.42 -39.72 95.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.36 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' OE1' ' A' ' 14' ' ' GLN . 39.4 mm -63.64 -41.02 91.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.488 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.83 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.86 -41.59 87.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.407 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -60.96 -41.15 95.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.962 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' A' ' 10' ' ' ILE . 4.1 mp0 -61.57 -41.62 97.67 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.0 -37.44 79.71 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.575 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -43.4 96.88 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.609 -0.436 . . . . 0.0 109.858 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -62.94 -43.84 97.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -61.41 -43.06 99.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.176 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.2 -48.95 30.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.759 -175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -57.65 11.84 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 17' ' ' ALA . 7.3 p -53.2 -41.86 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.309 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.85 -40.48 76.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.772 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.3 -46.87 69.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.0 mmm -66.07 -24.46 66.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.409 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.42 -40.45 78.36 Favored 'General case' 0 N--CA 1.461 0.124 0 O-C-N 121.732 -0.605 . . . . 0.0 110.45 170.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -63.72 -36.93 85.47 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.616 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' HD11 ' A' ' 54' ' ' ILE . 30.0 mmtt -58.13 -46.37 85.73 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.7 tp -62.76 -42.04 99.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.44 176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -57.34 -38.04 73.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.925 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.62 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.756 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -42.36 95.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.271 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -58.54 -45.59 88.57 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.731 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -68.53 -38.35 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.442 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.675 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -65.96 -39.92 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.063 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -64.19 -49.6 71.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 111.048 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -68.04 -30.88 70.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.197 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.0 49.25 5.69 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 162.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.356 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -59.49 161.48 5.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.897 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -63.75 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.925 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.115 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -68.1 -43.97 77.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 47' ' ' LEU . 36.3 tp -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.171 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -65.02 -40.48 94.92 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.296 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.817 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 44' ' ' LEU . 89.3 mt -56.41 -30.61 62.98 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.078 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -51.56 -42.33 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.21 -44.18 92.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.128 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -62.7 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.932 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.18 -36.42 75.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.938 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.3 94.46 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.429 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.58 -39.05 79.24 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.024 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 27' ' ' LYS . 43.6 mm -55.77 -62.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.439 0.638 . . . . 0.0 110.371 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.78 -44.9 99.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.484 -169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -69.58 -35.58 75.49 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.688 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -76.83 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 140' ' ' ILE . 34.2 mt -65.09 -38.73 91.66 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -171.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.636 HD13 HG11 ' A' ' 99' ' ' VAL . 2.0 tp -56.44 -39.45 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.626 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.73 -40.43 95.06 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.41 -42.04 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.971 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.69 -39.16 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.236 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.62 -41.83 95.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.717 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.85 -40.24 75.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.685 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -60.15 -34.41 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.951 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -40.1 77.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 175.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.85 -37.98 79.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.69 71.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.012 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -69.49 -32.44 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -171.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB3' HD12 ' A' ' 73' ' ' ILE . 29.6 pttt -76.21 -1.21 25.28 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -172.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -69.17 -38.54 78.78 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.085 -0.646 . . . . 0.0 109.968 161.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.55 -37.69 77.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.84 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 70' ' ' LYS . 92.2 mt -54.89 -36.36 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.49 -44.66 95.73 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.916 173.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -68.69 -42.14 78.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -88.9 -5.77 57.77 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 66.24 45.77 2.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 169.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.65 159.78 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.014 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.44 -37.21 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.379 1.386 . . . . 0.0 112.0 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.3 p -86.03 -9.11 57.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -79.75 -10.33 59.77 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.64 139.5 40.32 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.376 0.534 . . . . 0.0 110.768 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.209 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 84' ' ' ILE . 1.8 mp -57.61 -52.44 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.0 -39.19 79.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.92 -47.65 82.21 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.25 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -62.93 -38.78 92.38 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.742 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -42.59 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.14 -51.36 61.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.963 -174.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -60.43 -41.05 93.2 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.032 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.86 -40.22 69.44 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.822 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 83.9 mt-30 -78.08 -34.34 50.28 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.809 -173.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.45 -34.92 73.0 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.349 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.42 -40.33 95.55 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.104 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' GLN . . . -54.16 -47.29 72.13 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.086 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -59.24 -43.03 92.39 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -59.76 -38.23 81.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -62.95 -37.89 88.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.114 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 59' ' ' ILE . 85.3 t -60.35 -45.3 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.02 -41.1 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.478 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.34 -40.36 97.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.47 175.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.16 97.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.97 -46.56 77.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.076 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -56.51 -50.52 71.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.82 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -72.08 -27.39 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 112.095 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.83 -41.31 86.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -39.23 93.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.025 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.8 -41.52 91.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.351 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.55 -43.54 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -59.72 -37.21 78.28 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.717 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.84 -39.26 80.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.55 95.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.645 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.7 p -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.322 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.52 -35.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.753 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -92.08 6.73 45.39 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 74.13 45.25 26.38 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.922 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.72 137.56 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -65.19 157.39 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.0 t -60.47 -39.41 87.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.369 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -58.95 -47.81 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.715 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.24 -41.31 81.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 110.672 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.95 -42.92 99.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.111 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.71 -40.02 86.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.768 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -56.61 -41.02 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.19 -41.31 96.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.66 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mm -67.06 -52.31 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -67.09 -35.16 79.19 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.143 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.84 -48.99 79.45 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.79 -37.23 78.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.98 88.05 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.273 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -84.28 -18.26 36.96 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.48 -42.96 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 92.4 mt -56.34 -45.24 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.96 -46.9 78.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.29 -48.02 83.2 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.22 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.24 -44.71 84.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.749 0.309 . . . . 0.0 110.319 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.04 -46.26 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.117 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.05 -39.09 93.71 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.281 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.95 -36.51 77.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.773 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.51 HD12 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -57.92 -51.57 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.127 -176.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -105.66 25.26 11.01 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -85.71 -44.11 12.82 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 153.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.8 p -75.46 -40.86 56.88 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.399 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -57.96 -42.04 84.15 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.185 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.19 -41.27 99.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.106 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.12 99.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.4 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.49 -54.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -56.85 -41.5 78.05 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.83 -40.06 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.804 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.12 -36.99 85.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.39 -32.62 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.87 -38.5 78.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -88.91 8.75 27.76 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.55 178.97 . . . . . . . . 0 0 . 1 stop_ save_