data_6xtt_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 6xtt _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.594 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.594 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.479 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.479 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.579 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.502 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.422 ' HB2' HD22 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.657 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.608 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.415 ' SD ' ' CZ ' ' B' ' 93' ' ' PHE . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.755 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.702 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.627 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.421 ' HA ' ' HE3' ' B' ' 69' ' ' MET . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.625 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 85' ' ' LEU . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.43 ' HA ' HD13 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.499 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.588 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.483 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.483 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.604 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.544 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.507 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.55 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.401 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.775 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.663 ' O ' HG23 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.544 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.663 HG23 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.608 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.431 HG22 HG21 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.413 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.608 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.553 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.401 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.553 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 53' ' ' LEU . 88.2 m-70 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.55 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.431 HD21 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.525 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.418 ' HA ' HG23 ' B' ' 54' ' ' ILE . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.525 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.504 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.447 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.472 ' O ' HG21 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.687 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 0.517 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.472 HG21 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.484 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG22 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.484 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.426 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.431 ' HG3' HD21 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.426 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.447 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.437 ' CD2' HD11 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.418 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.541 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.541 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.421 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.5 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.5 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.591 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.438 ' HB2' HD21 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.886 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.492 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.451 ' HB2' HG22 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.451 HG21 HG23 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.486 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.4 mm . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.172 0.511 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.515 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.62 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.447 ' HA ' HG22 ' B' ' 54' ' ' ILE . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.62 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.474 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 27' ' ' CYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 26.5 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.457 ' HB2' HD22 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.454 ' O ' HG21 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.454 HG21 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.445 HG21 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.428 ' HB2' HG22 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.466 ' CD2' HD11 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.477 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.406 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.43 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.42 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.495 ' OD2' HD21 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.403 HG23 ' O ' ' B' ' 97' ' ' HIS . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.787 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.627 ' O ' HG22 ' B' ' 52' ' ' THR . 8.2 tp-100 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.559 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.627 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.466 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 0.432 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' B' ' 62' ' ' GLN . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' B' ' 57' ' ' SER . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.403 ' O ' HG23 ' B' ' 43' ' ' ILE . 2.4 t60 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.858 0.361 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.604 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.604 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.481 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.65 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.541 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.65 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.438 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.678 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.742 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG21 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.541 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.471 ' HB2' HG22 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.422 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.425 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.409 HD13 HD12 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.427 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.931 0.396 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.447 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.5 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.565 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.499 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.516 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.516 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.671 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.657 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.543 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.521 ' HZ3' ' CG ' ' B' ' 92' ' ' ASP . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.453 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' HE3' ' B' ' 18' ' ' MET . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.497 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.521 ' CG ' ' HZ3' ' B' ' 60' ' ' LYS . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.471 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 49.3 mm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' MET . . . . . 0.513 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.513 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HB3' ' NE2' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.445 ' HA ' ' HE1' ' B' ' 18' ' ' MET . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.474 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.624 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.421 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.498 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.851 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.522 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.445 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.402 ' NE2' ' HB3' ' B' ' 15' ' ' LEU . 34.1 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.637 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.442 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.433 HD21 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.431 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.431 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.601 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PRO . . . . . 0.522 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.45 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.686 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.567 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.522 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' THR . . . . . 0.567 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 62' ' ' GLN . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.433 ' HG3' HD21 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ILE . . . . . 0.498 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.503 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.877 0.37 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -149.7 11.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' B' ' -9' ' ' HIS . 91.8 m-70 -139.82 118.15 12.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.809 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -108.07 -46.71 3.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.31 . . . . 0.0 111.588 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -96.7 -35.38 11.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.0 0.429 . . . . 0.0 110.867 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' B' ' -12' ' ' HIS . 40.2 m80 -104.06 103.08 12.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.28 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -110.06 95.87 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.103 0.478 . . . . 0.0 110.609 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -122.31 56.33 1.11 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.608 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.7 m -98.0 97.26 5.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -75.59 -25.69 57.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.513 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -140.15 139.04 35.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.902 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -168.44 167.81 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 57.3 48.13 15.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.235 0.54 . . . . 0.0 110.731 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . 0.417 ' HZ2' ' HB3' ' B' ' -1' ' ' LYS . 5.2 mtpm? -88.98 -51.22 5.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.027 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.82 -2.73 29.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.642 0.734 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.68 39.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -157.74 133.0 8.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -156.04 116.76 3.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.427 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.69 100.11 8.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.924 0.392 . . . . 0.0 111.103 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 48.6 m-80 -99.65 140.14 21.37 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.938 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 20.2 Cg_exo -66.39 98.71 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.47 2.114 . . . . 0.0 111.607 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.43 -54.96 32.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.4 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.41 -176.32 3.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.333 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.594 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.594 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.479 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.479 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.579 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.502 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.422 ' HB2' HD22 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.657 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.608 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.415 ' SD ' ' CZ ' ' B' ' 93' ' ' PHE . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.755 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.702 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.627 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.421 ' HA ' ' HE3' ' B' ' 69' ' ' MET . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.625 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 85' ' ' LEU . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.43 ' HA ' HD13 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.499 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt -90.73 113.0 56.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.04 -6.8 20.01 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.006 2.471 . . . . 0.0 113.049 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.2 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.195 -179.502 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.626 0.251 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -152.27 42.48 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.62 94.3 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.955 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -107.72 29.66 7.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.217 0.532 . . . . 0.0 110.2 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.58 132.25 34.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.98 47.73 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -142.98 150.2 39.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.677 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -137.09 146.44 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.155 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 13.7 m -79.22 51.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.7 -72.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.05 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.58 114.06 27.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -84.95 129.01 34.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.901 0.381 . . . . 0.0 111.15 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -135.04 164.66 27.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.891 177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -153.63 28.74 0.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.455 0.645 . . . . 0.0 109.998 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.01 76.38 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.323 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -84.55 -34.28 23.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.927 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.416 ' C ' ' HG1' ' B' ' 3' ' ' THR . 26.4 m-20 -116.86 151.8 35.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.676 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.416 ' HG1' ' C ' ' B' ' 2' ' ' ASP . 40.5 p 50.96 41.44 27.11 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.271 0.628 . . . . 0.0 112.298 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.04 -32.74 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.002 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -120.82 141.61 32.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.646 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.88 94.04 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.195 1.93 . . . . 0.0 111.529 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -65.19 -41.01 94.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.616 0.722 . . . . 0.0 109.466 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -174.18 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.731 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.588 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.483 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.483 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.604 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.544 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.507 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.55 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.401 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.775 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.663 ' O ' HG23 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.544 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.663 HG23 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.608 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.431 HG22 HG21 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.413 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.608 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.553 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.401 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.553 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 53' ' ' LEU . 88.2 m-70 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.55 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt -90.18 109.08 30.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.45 0.25 9.54 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.003 2.469 . . . . 0.0 112.741 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.342 -178.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.739 0.304 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.03 119.71 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.327 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 55.63 40.78 31.0 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.473 0.483 . . . . 0.0 111.375 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -78.07 -59.12 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.709 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 54.04 76.44 0.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 175.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -156.37 131.03 8.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -126.59 169.2 13.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -83.66 59.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.91 -55.65 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.496 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.34 58.02 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.767 0.794 . . . . 0.0 109.128 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.01 4.72 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.668 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.12 -86.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -86.7 90.45 8.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -107.33 -11.57 15.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.198 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.4 ptp -133.42 -20.05 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -152.79 81.82 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.806 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.433 ' C ' ' HG1' ' B' ' 3' ' ' THR . 3.6 p30 -76.54 151.76 36.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.433 ' HG1' ' C ' ' B' ' 2' ' ' ASP . 35.6 p 46.87 50.34 13.67 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.973 0.509 . . . . 0.0 111.081 -172.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.83 99.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.989 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 53.3 m-80 -123.87 139.19 31.87 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.08 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 10.1 Cg_exo -71.27 93.15 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.548 2.165 . . . . 0.0 111.493 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -73.93 -23.44 59.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.85 128.98 36.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.431 HD21 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.525 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.418 ' HA ' HG23 ' B' ' 54' ' ' ILE . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.525 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.504 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.447 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.472 ' O ' HG21 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.687 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 0.517 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.472 HG21 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.484 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG22 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.484 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.426 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.431 ' HG3' HD21 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.426 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.447 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.437 ' CD2' HD11 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.418 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt -93.0 107.63 26.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -82.74 -19.14 6.25 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.527 2.151 . . . . 0.0 112.28 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.117 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.517 0.198 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.31 31.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.324 . . . . 0.0 111.768 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.19 64.2 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.63 0.253 . . . . 0.0 111.335 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.85 -48.33 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 0.0 110.227 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.57 88.14 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.412 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -72.91 -75.89 0.13 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.221 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -147.69 -82.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 50.7 m170 62.16 14.58 6.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 111.483 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.46 142.12 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -141.23 113.78 8.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.871 0.367 . . . . 0.0 110.365 -177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.62 114.68 19.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.839 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.38 145.3 36.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.19 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' B' ' 1' ' ' GLU . 15.1 t70 -164.12 140.5 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . 0.449 ' HZ2' ' HB3' ' B' ' -1' ' ' LYS . 8.2 mtpm? -89.98 -16.23 30.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.864 -175.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.4 tpt -98.51 -54.09 3.14 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.286 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' B' ' -2' ' ' ASP . 36.0 tt0 -114.14 107.72 16.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.887 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -111.54 156.45 21.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.146 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -94.78 37.43 1.14 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.832 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.92 172.22 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.248 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -119.52 133.16 23.81 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.7 108.59 1.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.284 1.989 . . . . 0.0 112.21 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -64.39 -32.77 74.52 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.91 169.36 17.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.541 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.541 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.421 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.5 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.5 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.591 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.438 ' HB2' HD21 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.886 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.229 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.492 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.451 ' HB2' HG22 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.451 HG21 HG23 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.486 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.4 mm -79.55 112.09 26.2 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.65 -0.94 11.0 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 123.195 2.596 . . . . 0.0 112.043 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.829 -178.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.91 139.96 29.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -153.29 139.08 17.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -136.31 74.37 1.5 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.41 71.01 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.509 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -138.02 75.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.172 0.511 . . . . 0.0 110.541 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -99.73 162.6 12.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.823 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 m80 62.5 30.69 17.19 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.617 0.573 . . . . 0.0 110.441 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.64 162.72 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.67 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -130.87 118.49 20.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.141 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -77.52 -30.65 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.176 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -105.51 2.86 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 65.49 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.908 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -101.18 21.96 13.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 110.04 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt -139.48 163.98 31.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.092 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -98.52 47.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.56 135.47 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.799 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -132.77 33.09 3.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.566 0.698 . . . . 0.0 109.656 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 5' ' ' ASN . . . -114.28 153.17 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.592 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 4' ' ' ALA . 92.8 m-20 69.79 151.69 0.13 Allowed Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.62 0.575 . . . . 0.0 110.84 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.42 99.95 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -75.45 -16.83 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 0.0 109.996 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -72.77 128.02 34.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.799 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.515 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.402 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.62 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.447 ' HA ' HG22 ' B' ' 54' ' ' ILE . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.62 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.474 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 27' ' ' CYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 26.5 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.457 ' HB2' HD22 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.454 ' O ' HG21 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.454 HG21 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.445 HG21 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.428 ' HB2' HG22 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.466 ' CD2' HD11 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.477 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.4 mt -92.8 109.67 40.54 Favored Pre-proline 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.3 -19.23 67.9 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.385 2.057 . . . . 0.0 111.911 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.5 mttm . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.76 179.276 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.057 0.455 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.41 113.73 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -64.51 -28.88 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -71.79 80.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.777 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -99.76 -80.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.696 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -96.16 -28.02 14.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.207 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -71.5 106.55 4.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.04 -15.68 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.5 172.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.803 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.14 39.25 10.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.282 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -75.35 -45.28 40.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 109.952 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -72.79 135.01 45.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.707 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.97 159.11 43.45 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -119.16 25.65 10.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.37 0.605 . . . . 0.0 110.135 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.66 70.65 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.31 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.41 46.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.374 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.55 178.76 7.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -145.34 72.37 1.32 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.203 0.525 . . . . 0.0 110.574 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.51 58.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -107.25 114.65 60.87 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.202 175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.87 138.72 26.43 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.007 2.471 . . . . 0.0 112.263 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.07 -22.54 33.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -170.66 1.96 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.024 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.406 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.43 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.42 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.495 ' OD2' HD21 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.403 HG23 ' O ' ' B' ' 97' ' ' HIS . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.787 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.627 ' O ' HG22 ' B' ' 52' ' ' THR . 8.2 tp-100 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.559 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.627 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.466 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.432 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' B' ' 62' ' ' GLN . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' B' ' 57' ' ' SER . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.403 ' O ' HG23 ' B' ' 43' ' ' ILE . 2.4 t60 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 40.9 mt -93.09 109.22 38.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.63 -21.32 5.15 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.581 2.187 . . . . 0.0 112.827 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.997 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.629 0.252 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -115.41 108.93 17.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.867 0.365 . . . . 0.0 111.017 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.42 126.5 35.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.94 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -129.69 126.96 39.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.91 0.386 . . . . 0.0 110.998 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.14 72.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -92.12 -21.85 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -101.19 170.08 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.966 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.08 37.07 14.92 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.46 0.475 . . . . 0.0 111.371 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.99 10.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.318 0.58 . . . . 0.0 110.298 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.77 -14.72 57.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.877 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.83 111.73 23.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.337 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 60.89 81.98 0.18 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.615 . . . . 0.0 110.386 -173.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -64.32 124.05 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -136.19 153.25 51.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mmt 66.45 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.837 0.711 . . . . 0.0 112.13 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.91 102.31 4.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.885 0.374 . . . . 0.0 110.404 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.8 158.06 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.133 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p 44.62 44.2 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.964 0.79 . . . . 0.0 112.584 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.57 128.16 43.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.209 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 14.8 m120 -100.59 133.02 21.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 5.6 Cg_exo -78.46 81.22 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.888 2.392 . . . . 0.0 111.118 176.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.19 -28.15 59.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.053 -175.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -171.74 2.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.069 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.604 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.604 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.481 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.65 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.541 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.65 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.438 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.678 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.742 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG21 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.541 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.471 ' HB2' HG22 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.422 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.425 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.409 HD13 HD12 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.427 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.19 108.58 27.33 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.87 -17.49 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.522 2.148 . . . . 0.0 112.166 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.159 -179.074 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.727 0.298 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -71.08 145.84 49.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 58.67 71.0 0.61 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.675 0.61 . . . . 0.0 110.312 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -116.07 131.05 57.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -123.31 120.58 33.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.939 0.4 . . . . 0.0 110.186 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -85.17 -9.89 57.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.78 71.79 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.261 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -92.61 -47.61 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 4.1 p -145.35 -38.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.028 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.04 89.78 7.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 0.0 110.11 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -81.09 -7.33 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 0.0 109.89 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.82 147.69 50.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.77 171.65 7.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -133.81 67.32 1.52 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.444 0.64 . . . . 0.0 111.075 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -78.32 -45.79 21.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.684 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.48 92.91 4.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.3 114.52 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.932 0.396 . . . . 0.0 110.18 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -108.86 -0.2 19.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.87 -52.99 30.13 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.9 123.09 38.79 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.372 . . . . 0.0 110.492 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.9 136.32 10.45 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.912 2.408 . . . . 0.0 111.828 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -77.79 -7.86 57.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.197 0.522 . . . . 0.0 110.361 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -134.85 134.71 41.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.058 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.834 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.447 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.5 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.565 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.499 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.516 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.516 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.671 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.657 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.543 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.521 ' HZ3' ' CG ' ' B' ' 92' ' ' ASP . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.44 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.453 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' HE3' ' B' ' 18' ' ' MET . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.497 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.521 ' CG ' ' HZ3' ' B' ' 60' ' ' LYS . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.471 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 49.3 mm -89.95 108.48 26.14 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' B' ' 98' ' ' LEU . 56.5 Cg_endo -75.78 7.45 3.16 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.886 2.39 . . . . 0.0 111.997 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.6 mttm . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.096 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -83.16 101.29 11.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -82.68 110.33 17.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.9 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -95.31 99.83 11.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.034 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -111.15 -19.38 12.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.119 0.485 . . . . 0.0 109.912 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -91.57 96.51 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -112.95 29.17 8.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 0.0 110.402 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -82.68 99.48 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.212 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.71 68.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.533 0.683 . . . . 0.0 112.138 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.68 5.5 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.337 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.3 91.16 7.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.37 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.33 -17.68 17.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.898 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.27 103.25 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.67 30.11 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.377 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 90.9 mtp -126.71 56.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -79.02 -28.78 43.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -112.69 146.34 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.562 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m 60.66 62.94 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.07 108.45 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.182 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -102.62 135.33 19.53 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.763 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.67 66.28 6.59 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.736 2.291 . . . . 0.0 112.67 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -77.54 -33.63 54.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.422 0.629 . . . . 0.0 109.722 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -98.65 134.41 41.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.867 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.513 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.513 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HB3' ' NE2' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.445 ' HA ' ' HE1' ' B' ' 18' ' ' MET . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.474 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.624 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.421 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.498 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.851 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.522 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.445 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.402 ' NE2' ' HB3' ' B' ' 15' ' ' LEU . 34.1 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' HD12 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.637 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.442 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.4 mm -92.55 108.18 29.46 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.8 2.71 7.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.597 2.198 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 85.5 mttt . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.086 -178.734 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . 67.81 169.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 111.548 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 57.66 74.53 0.42 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 65.96 -166.56 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.116 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 28.5 m80 58.36 60.32 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 111.518 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -127.03 11.41 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' B' ' -7' ' ' HIS . 46.2 m80 -98.11 -14.34 20.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' B' ' -8' ' ' HIS . 54.1 m80 72.91 -40.61 0.48 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.132 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' B' ' -8' ' ' HIS . 27.2 m -99.17 24.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.13 -39.15 74.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -113.8 83.85 1.93 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.28 8.28 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.676 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -67.85 106.69 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -102.63 160.93 14.14 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt 65.46 16.11 10.36 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.513 0.508 . . . . 0.0 111.572 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -95.84 -26.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.435 0.636 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.71 153.05 35.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.661 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 66.23 46.46 2.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.891 0.853 . . . . 0.0 109.521 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.84 77.85 9.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.175 -176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 9.1 p30 -158.16 143.33 12.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.634 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' B' ' 7' ' ' ASN . 1.7 Cg_endo -86.55 43.43 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.261 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 6' ' ' PRO . 5.0 m-20 69.63 -59.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.697 0.623 . . . . 0.0 110.576 -174.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.11 129.98 54.75 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.433 HD21 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.431 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.431 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.601 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PRO . . . . . 0.522 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.45 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.686 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.567 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . 1.251 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.522 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' THR . . . . . 0.567 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 62' ' ' GLN . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.433 ' HG3' HD21 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' HD13 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ILE . . . . . 0.498 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.503 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm -90.62 109.84 37.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.74 1.71 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.837 2.358 . . . . 0.0 112.667 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.769 -177.341 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.586 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.586 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' B' ' 62' ' ' GLN . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.494 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.666 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.464 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' HB3' ' B' ' 97' ' ' HIS . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.76 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.639 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.524 HG23 HG22 ' B' ' 54' ' ' ILE . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' B' ' 14' ' ' TRP . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 80' ' ' THR . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.634 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.547 HG21 HG23 ' B' ' 54' ' ' ILE . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.435 ' HB3' ' HE1' ' B' ' 45' ' ' MET . 47.6 m80 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.583 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.443 HG22 ' HG2' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.583 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' B' ' 62' ' ' GLN . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.503 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.621 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.513 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.513 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.455 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 44' ' ' LYS . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.781 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' HG22 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.67 HG22 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.531 HG23 HG22 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.448 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.432 HD13 HD11 ' B' ' 22' ' ' LEU . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.503 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.611 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.566 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.566 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.429 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.54 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.446 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.481 ' O ' HG22 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.693 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.439 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 83' ' ' ARG . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 65' ' ' LEU . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.511 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.446 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.44 ' CD2' HD13 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.533 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.533 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' B' ' 62' ' ' GLN . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.519 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.519 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.607 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB2' HG23 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.498 HG23 HG22 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' B' ' 15' ' ' LEU . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 65' ' ' LEU . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 29.4 mm . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.172 0.511 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.517 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.517 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.498 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.435 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.423 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.638 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.475 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 78.8 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.528 ' HB2' HD23 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.519 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG23 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.439 HG23 HG22 ' B' ' 54' ' ' ILE . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.485 HD13 HD11 ' B' ' 22' ' ' LEU . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 99' ' ' ILE . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.452 ' CD2' HD13 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' B' ' 95' ' ' GLU . 29.4 mt . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.44 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.438 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.593 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.46 ' OD2' HD23 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 52' ' ' THR . 61.5 tp60 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.593 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.473 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.46 HG23 HG22 ' B' ' 54' ' ' ILE . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 54' ' ' ILE . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' B' ' 99' ' ' ILE . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 95' ' ' GLU . 40.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.858 0.361 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.596 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.596 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG3' ' B' ' 62' ' ' GLN . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.498 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.498 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.667 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.577 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.694 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.451 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.75 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG22 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.577 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.581 HG22 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.507 ' HB2' HG23 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.459 HG23 HG22 ' B' ' 54' ' ' ILE . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG3' HD13 ' B' ' 15' ' ' LEU . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.432 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.44 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.504 HD13 HD11 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.48 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.507 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.931 0.396 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.849 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.577 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.699 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.67 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.678 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.605 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.519 ' HB3' HG23 ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.605 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.58 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.433 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.484 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 49.3 mm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' B' ' 72' ' ' LYS . 41.6 tt0 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' MET . . . . . 0.51 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.448 HG22 ' HG2' ' B' ' 72' ' ' LYS . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.51 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.454 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.49 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.49 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.636 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.636 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.639 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.859 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.454 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.421 HG23 HG22 ' B' ' 54' ' ' ILE . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' B' ' 15' ' ' LEU . 29.2 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' B' ' 10' ' ' THR . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' B' ' 83' ' ' ARG . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.427 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.639 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.446 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.617 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.47 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.691 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' THR . . . . . 0.577 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB3' HG23 ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.471 HG23 HG22 ' B' ' 54' ' ' ILE . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.508 ' HG3' HD13 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 22' ' ' LEU . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.43 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ILE . . . . . 0.518 HG21 HG23 ' B' ' 54' ' ' ILE . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.519 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' B' ' 43' ' ' ILE . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.877 0.37 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -149.7 11.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -12' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' B' ' -9' ' ' HIS . 91.8 m-70 -139.82 118.15 12.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.809 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -108.07 -46.71 3.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.31 . . . . 0.0 111.588 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -96.7 -35.38 11.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.0 0.429 . . . . 0.0 110.867 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -9' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' B' ' -12' ' ' HIS . 40.2 m80 -104.06 103.08 12.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.28 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -110.06 95.87 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.103 0.478 . . . . 0.0 110.609 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -122.31 56.33 1.11 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.608 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.7 m -98.0 97.26 5.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -75.59 -25.69 57.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.513 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -140.15 139.04 35.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.902 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -168.44 167.81 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 57.3 48.13 15.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.235 0.54 . . . . 0.0 110.731 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -88.98 -51.22 5.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.027 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.82 -2.73 29.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.642 0.734 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.68 39.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -157.74 133.0 8.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -156.04 116.76 3.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.427 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.69 100.11 8.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.924 0.392 . . . . 0.0 111.103 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 48.6 m-80 -99.65 140.14 21.37 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.938 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 20.2 Cg_exo -66.39 98.71 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.47 2.114 . . . . 0.0 111.607 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.43 -54.96 32.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.4 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.41 -176.32 3.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.333 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.586 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.586 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' B' ' 62' ' ' GLN . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.494 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.666 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.464 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' HB3' ' B' ' 97' ' ' HIS . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.76 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.639 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.524 HG23 HG22 ' B' ' 54' ' ' ILE . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' B' ' 14' ' ' TRP . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 80' ' ' THR . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.634 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.547 HG21 HG23 ' B' ' 54' ' ' ILE . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.435 ' HB3' ' HE1' ' B' ' 45' ' ' MET . 47.6 m80 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt -90.73 113.0 56.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.04 -6.8 20.01 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.006 2.471 . . . . 0.0 113.049 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.43 ' H ' HG22 ' B' ' 99' ' ' ILE . 64.2 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.195 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.626 0.251 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -152.27 42.48 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.62 94.3 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.955 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -107.72 29.66 7.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.217 0.532 . . . . 0.0 110.2 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.58 132.25 34.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.98 47.73 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -142.98 150.2 39.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.677 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -137.09 146.44 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.155 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 13.7 m -79.22 51.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.7 -72.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.05 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.58 114.06 27.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -84.95 129.01 34.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.901 0.381 . . . . 0.0 111.15 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -135.04 164.66 27.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.891 177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -153.63 28.74 0.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.455 0.645 . . . . 0.0 109.998 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.01 76.38 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.323 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -84.55 -34.28 23.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.927 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -116.86 151.8 35.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.676 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.5 p 50.96 41.44 27.11 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.271 0.628 . . . . 0.0 112.298 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.04 -32.74 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.002 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -120.82 141.61 32.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.646 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.88 94.04 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.195 1.93 . . . . 0.0 111.529 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -65.19 -41.01 94.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.616 0.722 . . . . 0.0 109.466 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 8' ' ' GLU . 0.2 OUTLIER -100.69 -174.18 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.731 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.583 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.443 HG22 ' HG2' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.583 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' B' ' 62' ' ' GLN . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.503 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.621 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.513 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.513 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.455 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 44' ' ' LYS . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.781 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' HG22 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.67 HG22 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.531 HG23 HG22 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.448 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.432 HD13 HD11 ' B' ' 22' ' ' LEU . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.503 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.611 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.566 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.566 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt -90.18 109.08 30.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.45 0.25 9.54 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.003 2.469 . . . . 0.0 112.741 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.342 -178.578 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.739 0.304 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.03 119.71 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.327 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 55.63 40.78 31.0 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.473 0.483 . . . . 0.0 111.375 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -78.07 -59.12 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.709 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 54.04 76.44 0.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 175.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -156.37 131.03 8.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -126.59 169.2 13.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -83.66 59.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.91 -55.65 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.496 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.34 58.02 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.767 0.794 . . . . 0.0 109.128 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.01 4.72 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.668 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.12 -86.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -86.7 90.45 8.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -107.33 -11.57 15.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.198 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.4 ptp -133.42 -20.05 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -152.79 81.82 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.806 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -76.54 151.76 36.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.6 p 46.87 50.34 13.67 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.973 0.509 . . . . 0.0 111.081 -172.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.83 99.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.989 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 53.3 m-80 -123.87 139.19 31.87 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.08 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 10.1 Cg_exo -71.27 93.15 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.548 2.165 . . . . 0.0 111.493 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -73.93 -23.44 59.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.85 128.98 36.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.429 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.54 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.446 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.481 ' O ' HG22 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.693 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.439 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 83' ' ' ARG . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 65' ' ' LEU . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.511 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.446 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.44 ' CD2' HD13 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt -93.0 107.63 26.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -82.74 -19.14 6.25 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.527 2.151 . . . . 0.0 112.28 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.117 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.517 0.198 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.31 31.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.324 . . . . 0.0 111.768 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.19 64.2 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.63 0.253 . . . . 0.0 111.335 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.85 -48.33 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 0.0 110.227 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.57 88.14 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.412 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -72.91 -75.89 0.13 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.221 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -147.69 -82.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 50.7 m170 62.16 14.58 6.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 111.483 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.46 142.12 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -141.23 113.78 8.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.871 0.367 . . . . 0.0 110.365 -177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.62 114.68 19.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.839 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.38 145.3 36.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.19 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' B' ' 1' ' ' GLU . 15.1 t70 -164.12 140.5 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -89.98 -16.23 30.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.864 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.4 tpt -98.51 -54.09 3.14 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.286 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' B' ' -2' ' ' ASP . 36.0 tt0 -114.14 107.72 16.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.887 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -111.54 156.45 21.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.146 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -94.78 37.43 1.14 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.832 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.92 172.22 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.248 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -119.52 133.16 23.81 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.7 108.59 1.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.284 1.989 . . . . 0.0 112.21 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -64.39 -32.77 74.52 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.91 169.36 17.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.533 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.533 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' B' ' 62' ' ' GLN . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.519 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.519 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.607 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB2' HG23 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.498 HG23 HG22 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' B' ' 15' ' ' LEU . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 65' ' ' LEU . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.449 HG22 ' H ' ' B' ' 101' ' ' LYS . 29.4 mm -79.55 112.09 26.2 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.65 -0.94 11.0 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 123.195 2.596 . . . . 0.0 112.043 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.449 ' H ' HG22 ' B' ' 99' ' ' ILE . 61.2 mttp . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.829 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.91 139.96 29.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -153.29 139.08 17.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -136.31 74.37 1.5 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.41 71.01 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.509 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -138.02 75.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.172 0.511 . . . . 0.0 110.541 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -99.73 162.6 12.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.823 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 m80 62.5 30.69 17.19 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.617 0.573 . . . . 0.0 110.441 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.64 162.72 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.67 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -130.87 118.49 20.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.141 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -77.52 -30.65 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.176 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -105.51 2.86 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 65.49 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.908 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -101.18 21.96 13.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 110.04 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt -139.48 163.98 31.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.092 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -98.52 47.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.56 135.47 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.799 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -132.77 33.09 3.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.566 0.698 . . . . 0.0 109.656 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 5' ' ' ASN . . . -114.28 153.17 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.592 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 4' ' ' ALA . 92.8 m-20 69.79 151.69 0.13 Allowed Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.62 0.575 . . . . 0.0 110.84 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.42 99.95 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -75.45 -16.83 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 0.0 109.996 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -72.77 128.02 34.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.799 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.517 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.517 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.498 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.435 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.423 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.638 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.475 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 78.8 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.528 ' HB2' HD23 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.519 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG23 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.439 HG23 HG22 ' B' ' 54' ' ' ILE . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.485 HD13 HD11 ' B' ' 22' ' ' LEU . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 99' ' ' ILE . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.452 ' CD2' HD13 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' B' ' 95' ' ' GLU . 29.4 mt -92.8 109.67 40.54 Favored Pre-proline 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.3 -19.23 67.9 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.385 2.057 . . . . 0.0 111.911 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.5 mttm . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.76 179.276 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.057 0.455 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.41 113.73 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -64.51 -28.88 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -71.79 80.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.777 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -99.76 -80.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.696 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -96.16 -28.02 14.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.207 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -71.5 106.55 4.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -90.04 -15.68 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.5 172.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.803 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.14 39.25 10.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.282 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -75.35 -45.28 40.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 109.952 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -72.79 135.01 45.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.707 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.97 159.11 43.45 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -119.16 25.65 10.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.37 0.605 . . . . 0.0 110.135 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.66 70.65 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.31 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.41 46.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.374 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.55 178.76 7.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -145.34 72.37 1.32 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.203 0.525 . . . . 0.0 110.574 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.51 58.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -107.25 114.65 60.87 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.202 175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.87 138.72 26.43 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.007 2.471 . . . . 0.0 112.263 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.07 -22.54 33.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -170.66 1.96 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.024 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.44 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.438 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.593 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.46 ' OD2' HD23 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 52' ' ' THR . 61.5 tp60 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.593 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.473 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.46 HG23 HG22 ' B' ' 54' ' ' ILE . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 54' ' ' ILE . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' B' ' 99' ' ' ILE . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 95' ' ' GLU . 40.9 mt -93.09 109.22 38.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.63 -21.32 5.15 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.581 2.187 . . . . 0.0 112.827 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.997 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.629 0.252 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -115.41 108.93 17.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.867 0.365 . . . . 0.0 111.017 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.42 126.5 35.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.94 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -129.69 126.96 39.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.91 0.386 . . . . 0.0 110.998 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.14 72.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -92.12 -21.85 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -101.19 170.08 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.966 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.08 37.07 14.92 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.46 0.475 . . . . 0.0 111.371 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.99 10.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.318 0.58 . . . . 0.0 110.298 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.77 -14.72 57.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.877 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.83 111.73 23.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.337 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 60.89 81.98 0.18 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.615 . . . . 0.0 110.386 -173.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -64.32 124.05 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -136.19 153.25 51.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mmt 66.45 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.837 0.711 . . . . 0.0 112.13 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.91 102.31 4.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.885 0.374 . . . . 0.0 110.404 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.8 158.06 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.133 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p 44.62 44.2 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.964 0.79 . . . . 0.0 112.584 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.57 128.16 43.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.209 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 79.7 m-20 -100.59 133.02 21.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 5.6 Cg_exo -78.46 81.22 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.888 2.392 . . . . 0.0 111.118 176.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.19 -28.15 59.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.053 -175.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -171.74 2.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.069 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.596 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.596 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG3' ' B' ' 62' ' ' GLN . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.498 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.498 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.667 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.577 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.694 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.451 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.75 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG22 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.577 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.581 HG22 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.507 ' HB2' HG23 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.459 HG23 HG22 ' B' ' 54' ' ' ILE . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG3' HD13 ' B' ' 15' ' ' LEU . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.432 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.44 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.504 HD13 HD11 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.48 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.507 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.19 108.58 27.33 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.87 -17.49 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.522 2.148 . . . . 0.0 112.166 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.159 -179.074 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.727 0.298 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -71.08 145.84 49.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 58.67 71.0 0.61 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.675 0.61 . . . . 0.0 110.312 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -116.07 131.05 57.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -123.31 120.58 33.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.939 0.4 . . . . 0.0 110.186 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -85.17 -9.89 57.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.78 71.79 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.261 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -92.61 -47.61 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 4.1 p -145.35 -38.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.028 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.04 89.78 7.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 0.0 110.11 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -81.09 -7.33 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 0.0 109.89 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.82 147.69 50.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.77 171.65 7.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -133.81 67.32 1.52 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.444 0.64 . . . . 0.0 111.075 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -78.32 -45.79 21.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.684 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.48 92.91 4.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.3 114.52 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.932 0.396 . . . . 0.0 110.18 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -108.86 -0.2 19.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.87 -52.99 30.13 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.9 123.09 38.79 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.372 . . . . 0.0 110.492 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.9 136.32 10.45 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.912 2.408 . . . . 0.0 111.828 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -77.79 -7.86 57.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.197 0.522 . . . . 0.0 110.361 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -134.85 134.71 41.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.058 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.849 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.577 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.699 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.67 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.678 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.605 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.519 ' HB3' HG23 ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.605 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.58 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.433 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.484 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.502 HG22 ' H ' ' B' ' 101' ' ' LYS . 49.3 mm -89.95 108.48 26.14 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' B' ' 98' ' ' LEU . 56.5 Cg_endo -75.78 7.45 3.16 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.886 2.39 . . . . 0.0 111.997 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.502 ' H ' HG22 ' B' ' 99' ' ' ILE . 59.6 mttm . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -83.16 101.29 11.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -82.68 110.33 17.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.9 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -95.31 99.83 11.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.034 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -111.15 -19.38 12.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.119 0.485 . . . . 0.0 109.912 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -91.57 96.51 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -112.95 29.17 8.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 0.0 110.402 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -82.68 99.48 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.212 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.71 68.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.533 0.683 . . . . 0.0 112.138 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.68 5.5 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.337 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.3 91.16 7.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.37 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.33 -17.68 17.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.898 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.27 103.25 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.67 30.11 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.377 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 90.9 mtp -126.71 56.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -79.02 -28.78 43.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -112.69 146.34 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.562 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m 60.66 62.94 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.07 108.45 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.182 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -102.62 135.33 19.53 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.763 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.67 66.28 6.59 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.736 2.291 . . . . 0.0 112.67 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -77.54 -33.63 54.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.422 0.629 . . . . 0.0 109.722 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' B' ' 72' ' ' LYS . 41.6 tt0 -98.65 134.41 41.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.867 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.51 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.448 HG22 ' HG2' ' B' ' 72' ' ' LYS . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.51 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.454 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.49 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.49 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.636 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.636 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.639 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.859 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.454 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.421 HG23 HG22 ' B' ' 54' ' ' ILE . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' B' ' 15' ' ' LEU . 29.2 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' B' ' 10' ' ' THR . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' B' ' 83' ' ' ARG . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.427 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.639 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.453 HG22 ' H ' ' B' ' 101' ' ' LYS . 51.4 mm -92.55 108.18 29.46 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.8 2.71 7.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.597 2.198 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.453 ' H ' HG22 ' B' ' 99' ' ' ILE . 85.5 mttt . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.086 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . 67.81 169.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 111.548 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 57.66 74.53 0.42 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 65.96 -166.56 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.116 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 28.5 m80 58.36 60.32 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 111.518 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -127.03 11.41 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -8' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' B' ' -7' ' ' HIS . 46.2 m80 -98.11 -14.34 20.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' -7' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' B' ' -8' ' ' HIS . 54.1 m80 72.91 -40.61 0.48 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.132 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.17 24.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.13 -39.15 74.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -113.8 83.85 1.93 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.28 8.28 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.676 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -67.85 106.69 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -102.63 160.93 14.14 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt 65.46 16.11 10.36 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.513 0.508 . . . . 0.0 111.572 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -95.84 -26.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.435 0.636 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.71 153.05 35.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.661 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 66.23 46.46 2.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.891 0.853 . . . . 0.0 109.521 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.84 77.85 9.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.175 -176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 9.1 p30 -158.16 143.33 12.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.634 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' B' ' 7' ' ' ASN . 1.7 Cg_endo -86.55 43.43 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.261 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 6' ' ' PRO . 5.0 m-20 69.63 -59.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.697 0.623 . . . . 0.0 110.576 -174.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.11 129.98 54.75 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.446 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.617 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.47 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.691 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.577 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB3' HG23 ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.471 HG23 HG22 ' B' ' 54' ' ' ILE . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.508 ' HG3' HD13 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 22' ' ' LEU . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.43 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ILE . . . . . 0.518 HG21 HG23 ' B' ' 54' ' ' ILE . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.519 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' B' ' 43' ' ' ILE . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm -90.62 109.84 37.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.74 1.71 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.837 2.358 . . . . 0.0 112.667 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.769 -177.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.586 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.586 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' B' ' 62' ' ' GLN . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.494 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.666 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.464 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' HB3' ' B' ' 97' ' ' HIS . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.76 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.639 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.524 HG23 HG22 ' B' ' 54' ' ' ILE . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' B' ' 14' ' ' TRP . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 80' ' ' THR . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.634 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.547 HG21 HG23 ' B' ' 54' ' ' ILE . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.435 ' HB3' ' HE1' ' B' ' 45' ' ' MET . 31.7 m-70 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.583 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.443 HG22 ' HG2' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.583 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' B' ' 62' ' ' GLN . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.503 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.621 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.513 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.513 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.455 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 44' ' ' LYS . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.781 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' HG22 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.67 HG22 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.531 HG23 HG22 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.448 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.432 HD13 HD11 ' B' ' 22' ' ' LEU . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.503 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.611 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.566 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.566 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' B' ' 53' ' ' LEU . 88.2 m-70 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.429 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.54 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.446 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.481 ' O ' HG22 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.693 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.439 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 83' ' ' ARG . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 65' ' ' LEU . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.511 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.446 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.44 ' CD2' HD13 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.533 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.533 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' B' ' 62' ' ' GLN . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.519 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.519 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.607 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB2' HG23 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.498 HG23 HG22 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' B' ' 15' ' ' LEU . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 65' ' ' LEU . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 29.4 mm . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.172 0.511 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.517 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.517 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.498 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.435 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.423 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.638 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.475 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 26.5 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.528 ' HB2' HD23 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.519 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG23 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.439 HG23 HG22 ' B' ' 54' ' ' ILE . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.485 HD13 HD11 ' B' ' 22' ' ' LEU . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 99' ' ' ILE . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.452 ' CD2' HD13 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' B' ' 95' ' ' GLU . 29.4 mt . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.44 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.438 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.593 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.46 ' OD2' HD23 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 52' ' ' THR . 8.2 tp-100 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.593 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.473 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.46 HG23 HG22 ' B' ' 54' ' ' ILE . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 54' ' ' ILE . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' B' ' 99' ' ' ILE . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 95' ' ' GLU . 40.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.858 0.361 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.596 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.596 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG3' ' B' ' 62' ' ' GLN . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.498 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.498 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.667 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.577 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.694 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.451 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.75 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG22 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.577 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.581 HG22 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.507 ' HB2' HG23 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.459 HG23 HG22 ' B' ' 54' ' ' ILE . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG3' HD13 ' B' ' 15' ' ' LEU . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.432 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.44 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.504 HD13 HD11 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.48 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.507 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.931 0.396 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.849 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.577 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.699 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.67 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.678 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.605 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.519 ' HB3' HG23 ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.605 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.58 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.433 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.484 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' B' ' 95' ' ' GLU . 49.3 mm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' B' ' 72' ' ' LYS . 41.6 tt0 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . 0.51 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.448 HG22 ' HG2' ' B' ' 72' ' ' LYS . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.51 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.454 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.49 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.49 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.636 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.636 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.639 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.859 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.454 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.421 HG23 HG22 ' B' ' 54' ' ' ILE . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' B' ' 15' ' ' LEU . 34.1 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' B' ' 10' ' ' THR . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' B' ' 83' ' ' ARG . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.427 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.639 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.446 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.617 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.47 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.691 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . 0.577 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB3' HG23 ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.471 HG23 HG22 ' B' ' 54' ' ' ILE . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.508 ' HG3' HD13 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 22' ' ' LEU . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.43 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ILE . . . . . 0.518 HG21 HG23 ' B' ' 54' ' ' ILE . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.519 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' B' ' 43' ' ' ILE . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.877 0.37 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -149.7 11.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' B' ' -9' ' ' HIS . 91.8 m-70 -139.82 118.15 12.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.809 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -108.07 -46.71 3.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.31 . . . . 0.0 111.588 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -96.7 -35.38 11.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.0 0.429 . . . . 0.0 110.867 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' B' ' -12' ' ' HIS . 40.2 m80 -104.06 103.08 12.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.28 -176.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -110.06 95.87 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.103 0.478 . . . . 0.0 110.609 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -122.31 56.33 1.11 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.608 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.7 m -98.0 97.26 5.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -75.59 -25.69 57.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.513 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -140.15 139.04 35.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.902 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -168.44 167.81 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 57.3 48.13 15.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.235 0.54 . . . . 0.0 110.731 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -88.98 -51.22 5.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.027 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.82 -2.73 29.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.642 0.734 . . . . 0.0 109.863 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.68 39.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.646 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -157.74 133.0 8.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -156.04 116.76 3.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.427 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.69 100.11 8.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.924 0.392 . . . . 0.0 111.103 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 48.6 m-80 -99.65 140.14 21.37 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.938 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 20.2 Cg_exo -66.39 98.71 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.47 2.114 . . . . 0.0 111.607 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -62.43 -54.96 32.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.4 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.41 -176.32 3.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.333 172.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.586 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 13.5 ptp -104.86 140.24 38.42 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.81 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.4 p -67.54 165.39 16.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.328 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.5 ptmt -56.17 -35.2 66.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.105 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -75.7 -46.98 28.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.68 85.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.7 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.586 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 69.2 t90 -60.23 -52.81 63.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.166 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' B' ' 62' ' ' GLN . 77.9 mt -55.02 -44.88 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.568 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.41 -43.53 88.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 70.2 m -90.66 3.55 53.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -111.56 -43.59 3.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.286 -0.258 . . . . 0.0 111.529 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.494 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.0 p -51.87 -50.42 78.1 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 91.4 Cg_endo -80.34 -3.88 12.8 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.418 1.412 . . . . 0.0 112.994 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.58 -13.34 24.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.079 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.4 mt -66.87 -47.6 53.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.682 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.3 Cg_exo -48.87 -36.58 34.33 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.644 2.229 . . . . 0.0 112.961 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.85 -49.69 73.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.722 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.83 -35.07 44.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.816 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.0 mm -62.02 -48.02 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.244 -0.182 . . . . 0.0 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.0 t -61.83 -42.01 98.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.26 -29.88 70.73 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.75 -31.71 81.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.345 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.53 -11.58 51.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.999 0.428 . . . . 0.0 110.718 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 27' ' ' CYS . 56.9 mt -98.67 -42.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.48 -40.87 93.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.659 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.54 115.88 58.21 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.508 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.03 -28.53 86.25 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.632 2.222 . . . . 0.0 111.272 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 6.4 m-20 -61.76 -53.96 48.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.034 176.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -72.21 -33.65 67.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.439 -175.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -57.57 -27.07 62.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.666 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 88.4 mttt -51.81 -53.89 35.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.834 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 14.1 tpp85 -77.82 -30.45 51.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.492 . . . . 0.0 110.208 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.426 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 63.7 t80 -57.64 -44.17 85.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.284 178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.624 ' O ' ' HD2' ' B' ' 44' ' ' LYS . 29.0 t70 -81.53 -25.84 35.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 62.4 mm-40 -61.52 -39.28 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.464 HG13 ' HA ' ' B' ' 98' ' ' LEU . 18.6 mm -90.94 2.38 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.614 0.721 . . . . 0.0 109.969 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' B' ' 41' ' ' ASP . 29.6 mmmt 52.34 47.24 25.13 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.565 -176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' HB3' ' B' ' 97' ' ' HIS . 28.3 ttm -89.83 147.29 23.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.65 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -119.63 160.62 22.14 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.76 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.5 t80 -49.87 -47.96 51.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.585 0.553 . . . . 0.0 111.307 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.64 -36.29 83.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.851 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 26.0 tp60 -63.54 -34.94 78.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 27.2 m -64.32 -56.38 14.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 16.9 m -67.38 -12.29 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -90.78 -15.54 29.94 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.477 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 20.9 mt -100.1 -36.87 9.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.927 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.639 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.0 mm -53.13 -41.57 86.63 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -176.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.28 -17.94 3.05 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.904 2.402 . . . . 0.0 113.803 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -73.42 -41.73 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.352 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 12.2 t -86.91 -27.39 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -176.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.524 HG23 HG22 ' B' ' 54' ' ' ILE . 44.2 p -57.11 -45.53 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.246 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -70.99 -35.02 71.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.122 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.4 -60.67 3.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.202 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 88' ' ' CYS . 11.7 t -68.04 -23.21 64.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.437 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -56.41 -55.59 31.68 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.835 175.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -26.84 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.63 -60.29 3.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.639 0.733 . . . . 0.0 111.012 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 69' ' ' MET . 12.6 mt -82.73 -26.71 31.71 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.835 -173.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -48.52 -36.54 15.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.62 0.368 . . . . 0.0 111.716 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.65 -20.94 60.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m -104.43 -14.21 15.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 58.4 mtm -74.32 148.51 86.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.37 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.33 176.53 7.8 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.98 2.453 . . . . 0.0 111.637 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.88 -48.59 81.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.077 0.465 . . . . 0.0 111.0 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -121.08 145.29 47.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.784 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -106.61 109.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.811 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.52 164.45 26.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.637 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -54.5 -43.4 71.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.927 0.33 . . . . 0.0 110.5 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.41 -42.28 92.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.14 0.495 . . . . 0.0 110.371 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 18.5 m -61.53 -36.61 81.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.217 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' B' ' 14' ' ' TRP . . . -57.94 -46.5 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.573 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.71 -38.57 96.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.12 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 52.5 m -63.26 -48.32 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.117 0.484 . . . . 0.0 111.328 -178.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -82.29 -26.81 32.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.31 93.8 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.072 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 80' ' ' THR . 13.8 ptt180 -66.22 -27.81 68.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 36.7 m -66.5 -46.34 76.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.027 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.634 ' HA ' ' SG ' ' B' ' 61' ' ' CYS . 76.9 mt -57.67 -45.33 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 109.973 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -45.43 95.57 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.368 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.16 -40.36 94.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.259 0.529 . . . . 0.0 110.555 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . 1.176 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 68.9 m -58.24 -57.02 14.72 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 110.104 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.547 HG21 HG23 ' B' ' 54' ' ' ILE . 67.1 mt -60.74 -43.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.615 -175.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.59 64.75 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.327 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -85.0 -41.18 16.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.939 0.4 . . . . 0.0 110.318 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.91 -48.08 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.426 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.415 ' CZ ' ' SD ' ' B' ' 45' ' ' MET . 91.7 t80 -60.55 -39.0 86.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.98 -55.23 15.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.366 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' B' ' 99' ' ' ILE . 45.1 mt-10 -62.08 -25.15 67.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -74.87 -66.54 0.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.061 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.435 ' HB3' ' HE1' ' B' ' 45' ' ' MET . 31.7 m-70 -110.54 -27.83 8.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 83.9 mt -74.86 -30.75 61.44 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.392 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 95' ' ' GLU . 23.1 mt -90.73 113.0 56.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.04 -6.8 20.01 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.006 2.471 . . . . 0.0 113.049 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.43 ' H ' HG22 ' B' ' 99' ' ' ILE . 64.2 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.195 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.626 0.251 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -152.27 42.48 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.62 94.3 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.955 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -107.72 29.66 7.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.217 0.532 . . . . 0.0 110.2 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -136.58 132.25 34.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.612 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.98 47.73 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -142.98 150.2 39.34 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.677 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -137.09 146.44 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.155 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 13.7 m -79.22 51.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 66.7 -72.62 0.08 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.05 -174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.58 114.06 27.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -84.95 129.01 34.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.901 0.381 . . . . 0.0 111.15 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -135.04 164.66 27.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.891 177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -153.63 28.74 0.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.455 0.645 . . . . 0.0 109.998 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.01 76.38 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.323 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -84.55 -34.28 23.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.927 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -116.86 151.8 35.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.676 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.5 p 50.96 41.44 27.11 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.271 0.628 . . . . 0.0 112.298 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.04 -32.74 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.002 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -120.82 141.61 32.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.646 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.88 94.04 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.195 1.93 . . . . 0.0 111.529 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -65.19 -41.01 94.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.616 0.722 . . . . 0.0 109.466 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 8' ' ' GLU . 0.2 OUTLIER -100.69 -174.18 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.731 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.583 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.0 ptp -101.01 136.59 40.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.443 HG22 ' HG2' ' B' ' 72' ' ' LYS . 40.5 p -66.43 159.75 26.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 18.8 ptmt -52.31 -36.87 54.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 0.0 111.066 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.53 -48.6 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.01 79.15 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.583 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 76.1 t90 -62.74 -53.46 54.04 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.867 176.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' B' ' 62' ' ' GLN . 87.5 mt -55.54 -44.93 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 0.0 110.496 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.6 -38.32 77.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.304 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -88.53 -28.04 21.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -85.35 -38.27 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.783 -171.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.4 p -49.89 -49.97 70.96 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.503 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.6 Cg_endo -80.23 -5.97 13.73 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.597 1.531 . . . . 0.0 113.109 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.09 -16.81 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.244 0.545 . . . . 0.0 110.026 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.621 ' O ' HG12 ' B' ' 26' ' ' ILE . 67.6 mt -69.26 -49.64 23.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.658 -178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 83.5 Cg_exo -49.32 -35.77 35.95 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 122.429 2.086 . . . . 0.0 112.918 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.39 -54.58 38.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.34 -35.77 66.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.397 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 22' ' ' LEU . 46.8 mm -61.68 -52.95 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.517 -176.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 22.7 t -61.94 -39.41 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.338 . . . . 0.0 110.727 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.95 -35.47 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.66 89.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.546 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.1 -21.64 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' CYS . 65.7 mt -88.88 -42.09 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.29 -25.9 64.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.597 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.513 ' OD2' ' HB2' ' B' ' 35' ' ' ASP . 23.3 t70 -94.21 119.85 66.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.39 -34.98 85.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.917 2.411 . . . . 0.0 112.693 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.513 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . 2.0 m-20 -66.66 -43.28 84.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.124 0.488 . . . . 0.0 110.614 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -33.93 58.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.074 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.86 -24.25 65.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.611 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 80.7 mttt -55.33 -52.03 64.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.646 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' B' ' 98' ' ' LEU . 21.3 tpp180 -77.59 -32.41 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 110.066 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.86 -37.45 82.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.106 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -79.43 -31.89 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.194 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -58.47 -39.73 80.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.196 0.522 . . . . 0.0 110.91 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.455 HG13 ' HA ' ' B' ' 98' ' ' LEU . 28.4 mm -87.56 -6.09 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.749 0.785 . . . . 0.0 109.868 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 44' ' ' LYS . 24.3 tptp 52.9 44.55 30.22 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.255 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 39.9 ttm -85.91 153.74 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.006 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -120.11 164.78 15.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.781 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 74.1 t80 -57.18 -45.71 83.46 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.895 0.379 . . . . 0.0 110.935 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.85 -23.45 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.3 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.67 ' O ' HG22 ' B' ' 52' ' ' THR . 50.3 tp60 -75.84 -44.22 42.0 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.274 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 24.9 m -54.53 -47.39 73.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.255 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 25.8 m -69.37 -13.01 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.67 HG22 ' O ' ' B' ' 49' ' ' GLN . 2.4 t -92.26 -13.53 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.137 0.494 . . . . 0.0 110.321 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 33.0 mt -100.55 -40.29 7.5 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.022 -177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -54.76 -41.27 89.14 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 94.2 Cg_exo -47.4 -18.89 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 123.256 2.637 . . . . 0.0 114.169 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.98 -51.52 25.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 110.077 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' B' ' 89' ' ' ILE . 19.9 t -76.79 -27.94 55.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.035 -175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.531 HG23 HG22 ' B' ' 54' ' ' ILE . 44.1 p -56.11 -45.97 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.086 0.469 . . . . 0.0 110.489 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -70.9 -36.93 72.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 22.1 ttmm -63.33 -56.36 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.8 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 63.7 m -64.74 -26.65 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.791 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.448 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.9 OUTLIER -59.5 -54.9 41.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.22 -33.59 71.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.96 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 21.6 mm-40 -59.98 -57.3 13.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.58 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.2 mt -89.88 -26.82 20.28 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.25 -170.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 63.4 t80 -45.0 -44.3 9.83 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.29 64.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.0 111.775 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.5 m -98.74 -17.01 18.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.402 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 52.6 mtm -74.45 146.97 84.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.222 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.49 178.59 4.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.921 2.414 . . . . 0.0 112.433 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.16 -50.25 74.16 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' B' ' 10' ' ' THR . 59.4 mttp -123.79 151.41 43.35 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.961 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.82 109.8 29.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.503 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.09 179.22 7.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -57.37 -48.8 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 111.447 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -39.67 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.515 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -63.92 -37.91 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.32 86.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.521 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.87 -27.95 73.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.382 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 85.7 m -73.85 -52.65 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 111.295 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -78.73 -26.86 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.998 0.428 . . . . 0.0 110.878 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.54 -37.37 94.67 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 80' ' ' THR . 19.4 ptp180 -75.38 -29.54 59.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -63.53 -44.51 94.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.432 HD13 HD11 ' B' ' 22' ' ' LEU . 90.3 mt -59.6 -47.67 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.936 174.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.503 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.68 -52.83 49.65 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.431 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -64.08 -39.97 95.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 0.0 110.86 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.0 t -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.611 ' HA ' ' OG ' ' B' ' 57' ' ' SER . 87.9 mt -62.53 -44.39 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.68 -31.3 67.11 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.981 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.76 -40.45 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.566 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 38.1 t70 -76.9 -43.91 33.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 110.196 -177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -57.85 -44.03 86.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.309 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.14 -54.04 46.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.42 -18.23 63.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.566 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 39.0 mttm -68.61 -71.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.143 174.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' B' ' 53' ' ' LEU . 88.2 m-70 -112.27 -33.42 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.801 -169.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 53.2 mt -65.98 -32.44 73.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.801 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 53.3 mt -90.18 109.08 30.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.45 0.25 9.54 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.003 2.469 . . . . 0.0 112.741 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.342 -178.578 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.739 0.304 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.03 119.71 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.327 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 55.63 40.78 31.0 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.473 0.483 . . . . 0.0 111.375 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -78.07 -59.12 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.709 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 54.04 76.44 0.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 175.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -156.37 131.03 8.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.275 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -126.59 169.2 13.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -83.66 59.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.91 -55.65 7.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.496 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.34 58.02 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.767 0.794 . . . . 0.0 109.128 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.01 4.72 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.668 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.12 -86.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -86.7 90.45 8.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -107.33 -11.57 15.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.198 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.4 ptp -133.42 -20.05 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -152.79 81.82 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.806 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -76.54 151.76 36.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.6 p 46.87 50.34 13.67 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.973 0.509 . . . . 0.0 111.081 -172.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.83 99.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.989 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 53.3 m-80 -123.87 139.19 31.87 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.08 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 10.1 Cg_exo -71.27 93.15 0.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.548 2.165 . . . . 0.0 111.493 177.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -73.93 -23.44 59.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.85 128.98 36.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.0 109.983 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.08 159.42 15.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.933 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.9 p -77.86 162.51 26.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.573 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.7 ptmt -55.25 -42.5 73.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.632 0.253 . . . . 0.0 111.1 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -71.33 -45.19 63.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.352 . . . . 0.0 110.649 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.21 86.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.735 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -62.92 -55.88 22.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.802 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' B' ' 62' ' ' GLN . 91.0 mt -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.951 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.9 -38.38 78.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.413 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -90.54 -21.96 21.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.658 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 18.2 tpt -92.29 -33.66 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.977 -171.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.429 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 0.9 OUTLIER -51.62 -50.11 79.02 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.142 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 93.0 Cg_endo -78.88 -3.23 13.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.612 1.542 . . . . 0.0 113.094 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.57 -21.18 24.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.285 0.564 . . . . 0.0 109.688 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.54 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.5 mt -65.08 -46.65 73.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.09 -176.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 80.7 Cg_exo -49.87 -45.19 33.41 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.249 1.966 . . . . 0.0 112.824 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.88 -41.33 95.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -71.82 -46.41 58.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.516 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.8 mm -65.41 -51.82 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.48 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -64.33 -40.6 96.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.243 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.89 -33.01 73.9 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.311 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.68 -38.43 82.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.422 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 65.9 mt -80.14 -42.02 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.158 0.504 . . . . 0.0 110.863 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -73.94 -23.11 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.63 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -91.86 116.44 66.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.2 Cg_exo -54.59 -34.21 82.0 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.145 2.563 . . . . 0.0 113.024 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.57 -53.45 51.49 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.956 0.884 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -73.56 -28.9 62.11 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.041 -173.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 29.4 tptp -62.34 -25.51 67.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 46.5 mtmt -61.05 -49.36 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.946 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.4 tpp180 -72.34 -35.45 68.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.021 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -57.31 -40.14 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.491 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.98 -38.83 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.932 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 9.0 mm-40 -59.26 -34.46 72.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 111.644 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 39' ' ' ARG . 20.4 mm -92.81 -0.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.359 0.599 . . . . 0.0 110.148 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 54.26 40.17 31.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.469 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.446 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 45.1 ttm -85.15 150.08 25.08 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 -173.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.8 p -120.33 162.66 19.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.479 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.481 ' O ' HG22 ' B' ' 51' ' ' VAL . 72.3 t80 -55.4 -47.19 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.01 -45.03 83.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.329 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.693 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 7.1 tp-100 -62.04 -43.95 97.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.703 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' ILE . 38.7 t -67.66 -46.44 72.39 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.903 -176.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 47' ' ' TYR . 10.4 m -68.84 -13.23 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.7 t -90.84 -11.73 38.46 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.877 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 35.4 mt -99.74 -35.66 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.83 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.4 mm -53.45 -40.26 78.61 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 89.3 Cg_exo -50.89 -18.68 4.55 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.941 2.427 . . . . 0.0 113.881 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.67 -32.76 62.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.328 0.585 . . . . 0.0 110.046 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 89' ' ' ILE . 10.7 m -90.31 -30.02 17.74 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.857 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 38.9 p -59.37 -56.9 16.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -62.57 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.439 ' HE2' ' CG ' ' B' ' 92' ' ' ASP . 24.7 ttpp -62.96 -64.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.817 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 68.3 m -62.32 -25.7 68.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.52 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' B' ' 15' ' ' LEU . 32.7 tt0 -57.39 -61.32 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.344 175.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.41 -33.07 71.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -55.87 24.47 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.704 0.764 . . . . 0.0 111.072 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' B' ' 69' ' ' MET . 31.7 mt -90.72 -27.61 18.85 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.661 -172.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.444 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 41.9 t80 -46.89 -38.51 10.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.054 0.542 . . . . 0.0 111.509 176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.62 -29.02 69.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.492 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.3 t -100.27 -7.47 24.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.5 mtp -74.66 144.15 79.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.41 178.62 5.37 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.902 2.401 . . . . 0.0 111.835 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.0 -49.86 74.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.529 . . . . 0.0 110.711 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -122.15 161.62 22.8 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.304 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -128.43 111.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.936 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -89.01 179.94 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -53.77 -47.83 70.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.74 -43.83 71.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.281 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 31.7 m -65.62 -29.22 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.158 0.504 . . . . 0.0 110.18 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.27 82.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.756 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.98 -38.44 96.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.024 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 37.6 m -55.0 -55.81 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 111.4 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -80.08 -27.57 39.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.963 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.46 78.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.125 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 83' ' ' ARG . 3.2 ptm180 -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.352 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.6 m -65.51 -44.87 85.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.264 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 65' ' ' LEU . 94.4 mt -61.45 -45.48 94.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.803 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.511 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.8 -54.85 33.52 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.394 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 9.5 pt-20 -63.14 -41.74 99.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.041 0.421 . . . . 0.0 110.767 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 35.4 t -57.63 -47.54 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.509 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.2 mt -65.88 -45.06 92.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.002 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.88 -29.34 61.75 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.544 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.2 mttt -78.78 -42.86 26.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.503 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' B' ' 60' ' ' LYS . 36.6 t70 -67.59 -45.92 74.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.559 -176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.446 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 90.7 t80 -65.84 -36.29 83.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.679 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -52.95 62.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.495 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.07 -27.15 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -65.64 -67.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.928 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.44 ' CD2' HD13 ' B' ' 53' ' ' LEU . 69.2 m-70 -111.85 -32.23 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 69.1 mt -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.903 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 41.2 mt -93.0 107.63 26.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -82.74 -19.14 6.25 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.527 2.151 . . . . 0.0 112.28 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.117 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.517 0.198 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.31 31.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.324 . . . . 0.0 111.768 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -92.19 64.2 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.63 0.253 . . . . 0.0 111.335 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.85 -48.33 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 0.0 110.227 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.57 88.14 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.412 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -72.91 -75.89 0.13 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.221 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -147.69 -82.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 50.7 m170 62.16 14.58 6.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.09 0.471 . . . . 0.0 111.483 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.46 142.12 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -141.23 113.78 8.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.871 0.367 . . . . 0.0 110.365 -177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.62 114.68 19.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.839 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.38 145.3 36.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.19 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' B' ' 1' ' ' GLU . 15.1 t70 -164.12 140.5 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -89.98 -16.23 30.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.864 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.4 tpt -98.51 -54.09 3.14 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.286 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' B' ' -2' ' ' ASP . 36.0 tt0 -114.14 107.72 16.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.887 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -111.54 156.45 21.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.146 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -94.78 37.43 1.14 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.832 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.92 172.22 0.27 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.248 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -119.52 133.16 23.81 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.7 108.59 1.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.284 1.989 . . . . 0.0 112.21 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -64.39 -32.77 74.52 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.91 169.36 17.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 174.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.533 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 9.4 ptp -106.09 152.08 23.86 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.453 -175.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -74.3 168.53 19.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.546 ' HE2' ' CE2' ' B' ' 66' ' ' TYR . 20.4 ptmt -56.73 -34.17 67.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.03 -47.21 16.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.13 86.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.533 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 73.2 t90 -61.04 -53.89 51.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.885 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' B' ' 62' ' ' GLN . 90.2 mt -56.03 -41.31 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.723 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.99 -40.23 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.178 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -90.16 -29.84 18.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.027 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.6 tpt -82.34 -36.96 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.916 -170.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.519 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.7 p -52.93 -49.88 84.72 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.519 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 78.2 Cg_endo -80.11 -6.25 13.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.667 1.578 . . . . 0.0 112.699 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.67 -20.21 29.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.607 ' O ' HG12 ' B' ' 26' ' ' ILE . 87.8 mt -66.03 -50.48 51.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.751 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 86.2 Cg_exo -47.85 -39.21 31.5 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.652 2.235 . . . . 0.0 113.407 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.99 -52.97 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.34 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.79 -42.76 76.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.186 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 22' ' ' LEU . 49.4 mm -61.34 -50.95 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.563 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 24.3 t -63.67 -41.04 98.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.455 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.5 -32.75 71.75 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 -27.58 72.64 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.588 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -82.47 -11.82 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.42 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.23 -44.02 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.27 0.557 . . . . 0.0 110.606 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.79 -29.48 65.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.776 -176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.08 112.43 49.29 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.4 -29.79 91.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.567 2.178 . . . . 0.0 111.684 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' HB2' HD23 ' B' ' 36' ' ' LEU . 7.0 m-20 -61.61 -52.63 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.838 0.828 . . . . 0.0 110.11 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.3 OUTLIER -74.15 -32.65 63.22 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.023 -175.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.8 -28.12 63.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.618 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 91.5 mttt -52.63 -52.98 53.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.637 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -79.68 -26.67 40.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.071 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.534 ' HE2' ' SG ' ' B' ' 50' ' ' CYS . 60.6 t80 -65.09 -43.36 92.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.232 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.38 -27.86 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 8.1 mm-40 -58.73 -42.98 90.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' HA ' ' B' ' 98' ' ' LEU . 24.5 mm -87.58 -0.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.533 0.683 . . . . 0.0 110.175 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 55.58 36.55 27.4 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.707 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttp -91.88 147.77 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.177 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.8 p -119.56 167.83 11.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.903 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.899 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 59.7 t80 -49.94 -50.39 46.71 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.514 0.509 . . . . 0.0 111.627 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.92 -23.1 65.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.601 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -75.77 -35.92 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 110.091 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 12.6 m -68.28 -45.53 72.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -67.2 -13.8 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -169.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 10.6 t -92.41 -13.61 29.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.352 0.596 . . . . 0.0 110.477 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.27 -33.38 10.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.217 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 50' ' ' CYS . 41.6 mm -56.56 -42.41 96.14 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 85.2 Cg_exo -51.2 -18.93 5.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.923 2.415 . . . . 0.0 113.526 175.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -75.35 -37.66 60.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.298 0.57 . . . . 0.0 109.907 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB2' HG23 ' B' ' 89' ' ' ILE . 49.5 m -89.99 -25.17 21.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.321 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.498 HG23 HG22 ' B' ' 54' ' ' ILE . 35.3 p -58.11 -55.7 31.55 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.951 0.405 . . . . 0.0 110.345 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -63.17 -36.52 83.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.654 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.7 ttmt -61.69 -55.42 30.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 99.8 m -74.19 -18.78 60.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.415 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' B' ' 15' ' ' LEU . 47.8 tt0 -60.65 -59.45 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.412 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -17.63 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.618 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 45.5 mm-40 -63.98 -63.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.309 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 69' ' ' MET . 11.5 mt -82.96 -26.76 31.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.852 -172.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 87.5 t80 -47.06 -36.43 8.06 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.932 0.493 . . . . 0.0 111.696 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.12 79.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.548 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.5 m -90.81 -21.77 21.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.008 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' B' ' 66' ' ' TYR . 93.2 mtp -61.02 139.57 94.18 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.577 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 64.3 Cg_endo -73.74 179.45 5.63 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.34 2.693 . . . . 0.0 112.148 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.69 -54.55 45.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.994 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.6 mttt -112.57 159.13 19.14 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.583 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -120.37 109.96 27.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.919 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -86.98 179.57 6.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.723 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -57.62 -49.01 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.244 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.97 -41.08 99.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -64.44 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.302 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.13 87.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.819 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -64.74 -41.88 97.42 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.806 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 22.9 m -57.67 -49.96 74.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.952 0.406 . . . . 0.0 111.761 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.44 -27.2 24.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.419 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 -49.05 82.1 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.108 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.6 ptm180 -63.05 -36.75 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 46.9 m -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.732 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.434 HD23 HD12 ' B' ' 65' ' ' LEU . 86.5 mt -63.05 -47.92 80.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -57.95 -49.99 69.94 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.378 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.16 -38.59 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.839 0.319 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -63.59 -50.81 67.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.963 0.411 . . . . 0.0 110.31 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.9 mt -64.67 -41.37 92.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.755 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.62 -31.14 60.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.229 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 55.6 mtpt -83.67 -44.21 14.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.806 0.336 . . . . 0.0 110.595 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -67.29 -42.8 83.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 86.5 t80 -63.99 -36.27 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.077 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 98' ' ' LEU . . . -63.64 -52.64 59.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.203 177.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 91' ' ' LYS . 52.5 mt-10 -64.69 -18.85 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.676 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 7.2 ptmm? -89.93 -53.57 4.43 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.23 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -112.23 -39.82 4.34 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' B' ' 43' ' ' ILE . 71.5 mt -67.49 -31.74 72.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.07 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.449 HG22 ' H ' ' B' ' 101' ' ' LYS . 29.4 mm -79.55 112.09 26.2 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.13 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.65 -0.94 11.0 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 123.195 2.596 . . . . 0.0 112.043 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.449 ' H ' HG22 ' B' ' 99' ' ' ILE . 61.2 mttp . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.829 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.91 139.96 29.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -153.29 139.08 17.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -136.31 74.37 1.5 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.41 71.01 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.509 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -138.02 75.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.172 0.511 . . . . 0.0 110.541 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -99.73 162.6 12.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.823 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 m80 62.5 30.69 17.19 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.617 0.573 . . . . 0.0 110.441 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 28.6 m -98.64 162.72 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.67 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -130.87 118.49 20.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.141 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -77.52 -30.65 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.176 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -105.51 2.86 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 65.49 107.23 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.908 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -101.18 21.96 13.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 110.04 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.5 mtt -139.48 163.98 31.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.092 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -98.52 47.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.56 135.47 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.799 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -132.77 33.09 3.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.566 0.698 . . . . 0.0 109.656 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 5' ' ' ASN . . . -114.28 153.17 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.592 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 4' ' ' ALA . 92.8 m-20 69.79 151.69 0.13 Allowed Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.62 0.575 . . . . 0.0 110.84 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.42 99.95 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -75.45 -16.83 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 0.0 109.996 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -72.77 128.02 34.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.799 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.517 ' HG3' ' HB2' ' B' ' 14' ' ' TRP . 12.2 ptp -100.97 159.68 15.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.892 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 40.4 p -80.33 161.58 24.98 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 19.9 ptmt -54.4 -40.67 68.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.6 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.15 -47.36 58.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.167 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.32 84.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.695 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.517 ' HB2' ' HG3' ' B' ' 9' ' ' MET . 84.9 t90 -62.7 -49.65 74.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 86.7 mt -56.06 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.619 177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.52 -35.97 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.052 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -85.08 -23.92 28.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.544 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.498 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 16.9 tpt -91.72 -34.7 14.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.512 -171.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.435 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -52.82 -50.94 78.54 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.423 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 96.5 Cg_endo -79.61 -5.36 14.03 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.616 1.544 . . . . 0.0 112.854 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.9 mt -92.18 -19.69 21.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.884 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.638 ' O ' HG12 ' B' ' 26' ' ' ILE . 86.7 mt -59.84 -47.61 96.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.838 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' B' ' 22' ' ' LEU . 92.8 Cg_exo -48.07 -38.23 31.78 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.497 2.131 . . . . 0.0 112.927 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.52 -47.24 76.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.623 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.9 -38.46 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.28 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 22' ' ' LEU . 47.0 mm -65.51 -56.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.962 -177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.475 ' O ' HG13 ' B' ' 31' ' ' ILE . 61.0 m -61.83 -38.77 89.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.201 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 91.1 mttt -66.43 -29.3 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.213 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.35 97.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.877 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -68.06 -24.56 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' B' ' 37' ' ' LYS . 61.5 mt -84.65 -40.88 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 26.5 mt-30 -62.33 -40.97 98.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.369 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.73 114.28 46.78 Favored Pre-proline 0 N--CA 1.443 -0.79 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.461 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.7 Cg_exo -59.63 -32.24 95.6 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.177 . . . . 0.0 111.387 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.528 ' HB2' HD23 ' B' ' 36' ' ' LEU . 5.2 m-20 -62.55 -49.87 73.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.376 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 35' ' ' ASP . 0.2 OUTLIER -73.35 -33.64 65.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.245 -175.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 22.1 tptm -60.29 -25.15 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.287 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 63.6 mttm -56.85 -51.96 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -76.27 -28.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.934 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -62.46 -37.4 85.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.722 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -81.22 -30.55 34.21 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.099 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 25.0 mm-40 -57.07 -40.11 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' B' ' 98' ' ' LEU . 22.1 mm -89.19 -1.89 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.567 0.699 . . . . 0.0 109.911 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 55.86 46.77 21.52 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.536 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 37.7 ttm -102.74 141.86 34.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.645 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -106.88 169.95 8.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 51' ' ' VAL . 58.6 t80 -56.17 -47.47 78.23 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 175.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.5 -38.44 80.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.66 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.519 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 58.1 tp60 -74.0 -30.97 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.148 0.499 . . . . 0.0 110.767 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.493 ' O ' HG12 ' B' ' 54' ' ' ILE . 30.1 t -75.31 -45.25 40.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.432 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' TYR . 6.9 m -67.04 -11.72 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.446 HG22 ' O ' ' B' ' 49' ' ' GLN . 12.0 t -90.58 -12.45 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.067 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 22.7 mt -98.48 -33.42 11.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.13 0.491 . . . . 0.0 110.412 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 50' ' ' CYS . 45.9 mm -54.86 -42.55 96.07 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 72.3 Cg_exo -50.84 -17.92 3.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.999 2.466 . . . . 0.0 113.915 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -74.86 -46.91 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 109.922 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.468 ' HB2' HG23 ' B' ' 89' ' ' ILE . 51.0 m -80.72 -22.35 40.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.468 -176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.439 HG23 HG22 ' B' ' 54' ' ' ILE . 48.2 p -56.78 -54.46 46.11 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.57 -39.78 94.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.393 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.1 ttmt -52.66 -55.71 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.782 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 80.6 m -75.89 -18.88 59.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -50.1 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.46 -20.2 65.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.195 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 16.6 mm-40 -63.94 -59.58 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.639 0.733 . . . . 0.0 111.072 174.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.3 mt -86.34 -27.43 24.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.542 -169.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' B' ' 11' ' ' LYS . 80.4 t80 -44.75 -42.14 7.47 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.59 78.51 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -89.94 -18.21 26.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.069 0.462 . . . . 0.0 110.992 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 93.1 mtp -67.88 139.12 93.12 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.148 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 58.5 Cg_endo -71.52 171.85 15.44 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.833 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -58.15 -48.45 80.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 111.121 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 87.2 mttt -119.23 159.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.296 0.57 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.2 mm -127.26 117.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.125 -171.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -94.53 179.07 5.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -55.29 -47.1 76.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.08 -39.33 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.328 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.1 m -64.49 -37.38 87.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.975 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.3 59.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.133 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -36.39 93.34 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.981 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 56.9 m -60.0 -42.78 95.0 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.349 0.26 . . . . 0.0 111.583 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -89.97 -28.88 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.102 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.29 -42.2 98.67 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.954 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.42 -34.99 78.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -64.72 -38.71 91.92 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.485 HD13 HD11 ' B' ' 22' ' ' LEU . 84.2 mt -63.59 -49.19 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.744 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 26' ' ' ILE . . . -56.75 -52.4 50.9 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 113.464 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 32.7 t -81.4 -48.0 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.79 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.7 mt -67.42 -44.19 87.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.629 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.06 86.21 Favored Glycine 0 CA--C 1.505 -0.545 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -71.51 -42.99 67.32 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 114.721 -0.74 . . . . 0.0 110.437 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.36 -43.47 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.623 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.536 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 82.6 t80 -62.06 -40.17 94.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.384 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.89 -51.5 68.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.905 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 99' ' ' ILE . 37.6 mt-10 -64.19 -29.27 70.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.699 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -63.63 -69.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.486 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.452 ' CD2' HD13 ' B' ' 53' ' ' LEU . 77.4 m-70 -111.04 -38.41 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -170.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 43' ' ' ILE . 55.1 mt -70.01 -33.93 72.66 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.721 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' B' ' 95' ' ' GLU . 29.4 mt -92.8 109.67 40.54 Favored Pre-proline 0 N--CA 1.447 -0.61 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.3 -19.23 67.9 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.385 2.057 . . . . 0.0 111.911 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.5 mttm . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.76 179.276 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.057 0.455 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -135.41 113.73 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -64.51 -28.88 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -71.79 80.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.777 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -99.76 -80.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.696 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -96.16 -28.02 14.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.207 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -71.5 106.55 4.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.414 ' CD2' HG13 ' B' ' -6' ' ' VAL . 45.3 p-80 -90.04 -15.68 31.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' B' ' -7' ' ' HIS . 5.5 m -132.5 172.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.803 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.14 39.25 10.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.282 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -75.35 -45.28 40.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 109.952 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -72.79 135.01 45.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.707 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.97 159.11 43.45 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -119.16 25.65 10.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.37 0.605 . . . . 0.0 110.135 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.66 70.65 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.31 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -96.41 46.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.374 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.55 178.76 7.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -145.34 72.37 1.32 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.203 0.525 . . . . 0.0 110.574 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.51 58.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -107.25 114.65 60.87 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.202 175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.87 138.72 26.43 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.007 2.471 . . . . 0.0 112.263 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.07 -22.54 33.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.05 -170.66 1.96 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.024 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.7 153.7 18.89 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 p -80.09 162.63 24.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.382 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.5 ptmt -53.22 -45.38 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.155 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.86 -41.34 62.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.599 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -42.09 84.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -56.39 -51.84 66.83 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG2' ' B' ' 62' ' ' GLN . 66.9 mt -56.73 -42.19 78.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.21 -38.48 89.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.281 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.4 t -89.2 -27.27 20.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.44 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 15.1 tpt -82.17 -34.37 29.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.438 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -54.27 -49.96 87.43 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -175.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 85.5 Cg_endo -77.77 -4.79 14.86 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.326 1.35 . . . . 0.0 112.134 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.66 -16.87 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.05 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.592 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.4 mt -64.64 -44.97 75.77 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.593 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 86.0 Cg_exo -47.28 -39.09 27.09 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.379 2.053 . . . . 0.0 112.816 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.87 -49.93 72.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.849 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.22 -43.7 73.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.834 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 22' ' ' LEU . 51.5 mm -61.79 -54.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.518 -175.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 18.7 t -62.14 -40.39 95.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.95 -32.76 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.774 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.63 -24.8 69.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.023 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 36' ' ' LEU . 90.0 m-85 -90.26 -13.07 36.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.215 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 27' ' ' CYS . 62.3 mt -95.47 -44.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.652 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.46 ' OD2' HD23 ' B' ' 36' ' ' LEU . 7.1 t70 -80.25 125.53 81.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 23.8 Cg_exo -62.47 -33.07 80.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.033 2.489 . . . . 0.0 112.532 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 3.2 m-20 -67.7 -34.01 76.04 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 122.002 0.906 . . . . 0.0 110.609 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -86.32 -42.39 13.75 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.665 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.75 -32.63 71.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.251 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 0.0 OUTLIER -61.93 -31.41 71.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -177.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -90.42 -33.84 15.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.05 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.1 -40.23 70.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.319 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -74.99 -34.7 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.467 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 27.1 mm-40 -60.2 -37.94 81.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.411 . . . . 0.0 111.714 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -89.25 -4.0 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.313 0.578 . . . . 0.0 110.194 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 58.76 37.13 25.07 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.002 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 31.0 ttp -89.15 151.06 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -117.92 163.73 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.291 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 53.0 t80 -56.55 -40.25 74.81 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.451 0.643 . . . . 0.0 110.074 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.68 -23.68 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.277 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 52' ' ' THR . 8.2 tp-100 -80.11 -47.01 15.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 22.4 m -52.58 -43.71 65.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.595 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.593 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.1 m -70.86 -13.05 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.9 t -92.47 -12.29 32.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.156 0.503 . . . . 0.0 110.117 174.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 47.8 mt -99.93 -45.66 5.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.022 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 50' ' ' CYS . 48.6 mm -54.74 -42.99 98.06 Favored Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 54' ' ' ILE . 99.2 Cg_exo -48.25 -18.97 1.5 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.309 2.673 . . . . 0.0 115.576 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 53' ' ' LEU . 11.0 pt-20 -90.86 -26.66 19.26 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.681 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.473 ' HB2' HG23 ' B' ' 89' ' ' ILE . 6.2 m -80.95 -28.29 35.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.073 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.46 HG23 HG22 ' B' ' 54' ' ' ILE . 52.8 p -60.11 -56.4 22.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.523 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -58.99 -36.47 74.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.485 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -63.03 -57.57 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.027 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 75.3 m -67.93 -21.25 65.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.437 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -61.0 -51.75 67.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 173.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.59 -29.53 70.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.976 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' B' ' 61' ' ' CYS . 10.1 mm-40 -58.59 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' B' ' 69' ' ' MET . 10.6 mt -89.64 -27.59 20.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.141 -173.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -43.44 -41.22 4.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.63 64.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -92.29 -18.75 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.33 146.13 98.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.238 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 69.5 Cg_endo -72.58 174.96 10.85 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.949 2.432 . . . . 0.0 111.969 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.56 -47.14 86.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 111.196 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -122.8 155.32 36.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.71 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' B' ' 11' ' ' LYS . 46.2 mm -122.01 115.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.903 -173.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.51 -179.37 5.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 64.7 m -61.8 -41.01 97.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.41 -42.25 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.497 0.665 . . . . 0.0 109.93 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -67.74 -40.18 84.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.322 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.89 74.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.127 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.28 92.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 70.3 m -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.761 0.315 . . . . 0.0 111.426 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -90.85 -36.17 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.36 70.77 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.55 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -69.99 -45.76 66.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.216 0.508 . . . . 0.0 110.013 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 34.2 m -65.59 -41.1 93.21 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.897 0.856 . . . . 0.0 109.675 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.02 -46.29 89.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.516 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -67.65 -48.55 55.59 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.403 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.75 -34.89 78.16 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.281 0.541 . . . . 0.0 110.831 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 23.3 t -59.8 -45.95 90.73 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 110.331 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 54' ' ' ILE . 95.1 mt -68.24 -40.23 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.806 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.62 -29.52 61.21 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.519 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.38 -48.13 57.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 0.0 110.015 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.53 -47.17 70.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.487 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -58.29 -42.7 87.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.388 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.39 -53.13 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.045 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' B' ' 99' ' ' ILE . 39.9 mt-10 -67.51 -16.26 64.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.333 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -81.14 -70.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.591 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -102.94 -25.57 13.42 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -33.8 35.67 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.403 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 95' ' ' GLU . 40.9 mt -93.09 109.22 38.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 173.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.63 -21.32 5.15 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.581 2.187 . . . . 0.0 112.827 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.997 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.629 0.252 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -115.41 108.93 17.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.867 0.365 . . . . 0.0 111.017 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.42 126.5 35.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.94 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -129.69 126.96 39.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.91 0.386 . . . . 0.0 110.998 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -142.14 72.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -92.12 -21.85 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.074 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -101.19 170.08 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.966 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 62.08 37.07 14.92 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.46 0.475 . . . . 0.0 111.371 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.99 10.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.318 0.58 . . . . 0.0 110.298 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.77 -14.72 57.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.877 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.83 111.73 23.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.337 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 60.89 81.98 0.18 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.615 . . . . 0.0 110.386 -173.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -64.32 124.05 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -136.19 153.25 51.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mmt 66.45 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.837 0.711 . . . . 0.0 112.13 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.91 102.31 4.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.885 0.374 . . . . 0.0 110.404 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.8 158.06 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.133 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p 44.62 44.2 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.964 0.79 . . . . 0.0 112.584 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.57 128.16 43.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.209 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 14.8 m120 -100.59 133.02 21.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.269 -178.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 5' ' ' ASN . 5.6 Cg_exo -78.46 81.22 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.888 2.392 . . . . 0.0 111.118 176.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.19 -28.15 59.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.053 -175.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 -171.74 2.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.069 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.596 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 16.4 ptp -109.29 138.24 45.95 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.9 p -68.27 164.37 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.113 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 70' ' ' PRO . 20.9 ptmt -53.92 -35.34 61.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.392 . . . . 0.0 111.607 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.46 -44.51 19.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.789 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.96 66.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.596 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 70.0 t90 -57.07 -50.37 72.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.896 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.495 HD13 ' HG3' ' B' ' 62' ' ' GLN . 89.1 mt -55.87 -41.62 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.257 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.3 -37.64 78.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.275 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -90.54 -27.91 18.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.4 tpt -86.15 -37.25 18.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.498 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 3.3 p -53.16 -47.87 94.29 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -174.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.498 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 79.2 Cg_endo -80.44 -2.55 12.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 121.511 1.474 . . . . 0.0 112.752 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.7 -21.16 24.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.215 0.531 . . . . 0.0 109.583 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.667 ' O ' HG12 ' B' ' 26' ' ' ILE . 90.6 mt -64.2 -47.07 79.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.068 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.577 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 73.8 Cg_exo -51.16 -35.63 52.74 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.398 2.065 . . . . 0.0 112.716 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.39 -37.32 82.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.407 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 mt -85.52 -40.58 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.522 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.4 mm -58.01 -52.01 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.818 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 9.8 t -60.52 -34.46 74.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.907 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 32' ' ' GLN . 69.7 mmtt -57.38 -40.61 78.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.24 87.68 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.712 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.506 ' CD1' HD12 ' B' ' 36' ' ' LEU . 99.2 m-85 -82.79 -11.69 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 27' ' ' CYS . 71.9 mt -93.92 -40.45 11.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.17 0.51 . . . . 0.0 110.419 176.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 55.2 mt-30 -67.08 -40.52 87.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.502 -177.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.23 117.06 67.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.97 -34.26 91.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.24 2.627 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.694 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 38.6 t70 -62.17 -40.43 95.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.037 0.923 . . . . 0.0 110.595 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' B' ' 30' ' ' PHE . 0.2 OUTLIER -79.38 -42.26 25.94 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.486 -176.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.39 -32.58 72.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' B' ' 35' ' ' ASP . 1.7 pptp? -69.14 -24.36 64.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.802 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -89.92 -33.63 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 109.337 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -58.22 -37.76 75.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.294 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.28 -32.12 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.679 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 18.6 mm-40 -61.38 -32.1 72.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 0.0 111.108 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.451 HG13 ' HA ' ' B' ' 98' ' ' LEU . 23.7 mm -92.84 -3.89 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.629 0.728 . . . . 0.0 109.949 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 73.0 mmtt 53.16 43.81 31.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.746 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 20.9 ttp -93.6 148.22 22.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.759 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -119.57 167.92 11.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.625 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.75 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 57.4 t80 -56.44 -47.23 79.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 0.0 110.314 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.31 -20.6 66.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.883 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' HG22 ' B' ' 52' ' ' THR . 6.2 tp-100 -78.64 -42.33 29.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.915 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 56.1 m -54.75 -43.48 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.66 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.577 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 18.9 m -68.22 -13.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -171.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.581 HG22 ' O ' ' B' ' 49' ' ' GLN . 3.3 t -92.82 -12.35 31.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.37 173.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 25.9 mt -100.2 -39.98 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 50' ' ' CYS . 51.1 mm -58.85 -41.96 91.49 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.27 -22.64 11.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.664 2.243 . . . . 0.0 113.384 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.59 -26.7 34.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.21 0.529 . . . . 0.0 110.427 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.507 ' HB2' HG23 ' B' ' 89' ' ' ILE . 13.7 m -90.11 -29.62 18.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.459 HG23 HG22 ' B' ' 54' ' ' ILE . 43.9 p -59.23 -43.32 92.36 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -64.77 -39.46 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.643 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.75 -56.21 15.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 73.3 m -71.11 -20.11 62.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.609 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.495 ' HG3' HD13 ' B' ' 15' ' ' LEU . 48.7 tt0 -56.96 -56.06 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.389 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.61 -36.39 73.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 61' ' ' CYS . 21.0 mm-40 -52.46 -58.79 5.61 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.642 0.734 . . . . 0.0 111.428 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' B' ' 69' ' ' MET . 15.0 mt -89.09 -26.98 21.07 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.875 -172.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.432 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 90.4 t80 -51.15 -39.96 57.49 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.76 0.314 . . . . 0.0 110.987 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -21.52 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -105.12 -14.35 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.698 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 60.9 mtm -73.66 145.91 85.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.674 0.273 . . . . 0.0 111.581 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' B' ' 11' ' ' LYS . 60.8 Cg_endo -71.58 -179.58 3.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.154 2.569 . . . . 0.0 112.318 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.13 -49.98 75.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.927 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 54.5 mttp -120.28 150.09 41.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.691 -177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.6 mm -114.0 109.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.255 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -89.4 -178.94 5.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.213 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -55.5 -49.56 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.68 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 0.0 110.251 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -65.83 -41.61 91.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.87 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.54 -48.41 80.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.243 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.06 99.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.034 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 34.2 m -60.08 -51.18 70.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.029 0.442 . . . . 0.0 111.384 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.44 ' CD2' ' HG2' ' B' ' 69' ' ' MET . 98.2 m95 -81.84 -28.05 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.198 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.74 87.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.053 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.8 m -69.78 -44.17 70.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.085 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.504 HD13 HD11 ' B' ' 22' ' ' LEU . 65.8 mt -60.5 -44.43 96.0 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.48 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.4 -49.92 65.85 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 113.592 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.5 pt-20 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.063 0.432 . . . . 0.0 111.054 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 36.6 t -65.92 -48.16 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.632 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.507 HG23 ' HB2' ' B' ' 57' ' ' SER . 96.8 mt -63.1 -41.03 91.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.85 67.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.156 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 63.1 mtpt -72.51 -41.25 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.552 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -46.76 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.093 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -57.8 -41.05 81.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.206 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.28 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.9 -23.02 65.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -81.28 -52.16 7.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.395 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -112.99 -39.84 4.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG13 ' B' ' 43' ' ' ILE . 76.8 mt -69.96 -31.73 69.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.874 0.369 . . . . 0.0 111.013 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.19 108.58 27.33 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.87 -17.49 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.522 2.148 . . . . 0.0 112.166 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.159 -179.074 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.727 0.298 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -71.08 145.84 49.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 58.67 71.0 0.61 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.675 0.61 . . . . 0.0 110.312 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -116.07 131.05 57.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -123.31 120.58 33.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.939 0.4 . . . . 0.0 110.186 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -85.17 -9.89 57.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.78 71.79 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.261 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -92.61 -47.61 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 4.1 p -145.35 -38.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.028 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.04 89.78 7.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 0.0 110.11 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -81.09 -7.33 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 0.0 109.89 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.82 147.69 50.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.633 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.77 171.65 7.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -133.81 67.32 1.52 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.444 0.64 . . . . 0.0 111.075 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -78.32 -45.79 21.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.684 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.48 92.91 4.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.3 114.52 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.932 0.396 . . . . 0.0 110.18 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -108.86 -0.2 19.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.87 -52.99 30.13 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.9 123.09 38.79 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.372 . . . . 0.0 110.492 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.9 136.32 10.45 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.912 2.408 . . . . 0.0 111.828 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -77.79 -7.86 57.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.197 0.522 . . . . 0.0 110.361 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -134.85 134.71 41.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.058 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.04 165.14 11.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.61 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 17.5 p -83.68 159.59 21.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.658 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 20.2 ptmt -55.02 -44.53 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.658 0.266 . . . . 0.0 110.764 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.39 -47.46 73.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.241 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.64 84.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -62.45 -46.77 87.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.849 ' HA ' ' SD ' ' B' ' 18' ' ' MET . 94.8 mt -60.81 -28.99 69.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -80.13 -26.46 39.44 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.459 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -91.59 -31.49 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.849 ' SD ' ' HA ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -92.04 -24.42 19.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 111.179 -169.059 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 58' ' ' THR . 0.2 OUTLIER -50.62 -51.38 65.86 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.52 -4.37 12.93 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.913 1.742 . . . . 0.0 112.939 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -91.18 -18.57 24.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 110.268 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.577 ' O ' HG12 ' B' ' 26' ' ' ILE . 82.2 mt -69.25 -46.54 28.72 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.231 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 22.8 Cg_exo -42.42 -40.01 6.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 123.251 2.634 . . . . 0.0 114.814 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.22 -57.54 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.496 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -35.4 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.4 mm -71.25 -57.94 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.091 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 26.2 t -60.81 -41.52 95.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.696 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -58.73 -34.55 71.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.39 94.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.079 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.427 ' CD1' HD13 ' B' ' 36' ' ' LEU . 84.8 m-85 -79.39 -18.14 52.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 27' ' ' CYS . 75.0 mt -86.26 -42.48 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.92 -40.05 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.827 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.05 117.8 65.6 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.521 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 37.6 Cg_exo -58.12 -37.42 95.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.068 2.512 . . . . 0.0 112.785 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -75.54 -35.21 60.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.966 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 30' ' ' PHE . 86.7 mt -73.38 -33.63 65.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.39 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.26 -25.44 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.228 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 86.8 mttt -62.5 -50.41 71.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.774 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 43' ' ' ILE . 19.3 tpp180 -71.6 -33.9 69.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.295 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' B' ' 50' ' ' CYS . 57.1 t80 -56.85 -39.29 74.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.146 174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.54 -36.69 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.699 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 5.1 mm-40 -59.9 -36.16 76.37 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.235 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 39' ' ' ARG . 28.9 mm -84.35 -5.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.499 0.666 . . . . 0.0 110.149 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 57.61 42.74 23.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.171 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 29.3 ttp -105.01 144.94 31.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.255 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -120.05 168.29 11.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.027 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.67 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 72.4 t80 -52.04 -46.75 65.19 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.295 0.372 . . . . 0.0 111.286 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.47 -26.74 68.09 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.584 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.678 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 49.6 tp60 -82.11 -34.98 29.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.109 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 40.5 m -58.41 -49.94 75.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 30.6 m -65.98 -16.04 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 49' ' ' GLN . 13.5 t -91.56 -12.65 33.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.524 175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 21.1 mt -100.17 -32.87 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.667 HG12 ' O ' ' B' ' 50' ' ' CYS . 43.6 mm -56.0 -42.25 95.16 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.174 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.605 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 81.3 Cg_exo -48.82 -20.6 2.97 Favored 'Trans proline' 0 C--N 1.363 1.297 0 C-N-CA 123.006 2.471 . . . . 0.0 114.346 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.0 -42.21 76.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.519 ' HB3' HG23 ' B' ' 89' ' ' ILE . 10.4 t -83.62 -30.1 27.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.302 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.605 ' OG1' ' HA ' ' B' ' 55' ' ' PRO . 73.1 p -60.79 -43.16 98.48 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -67.79 -44.22 77.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.962 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 40.1 ttmt -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.239 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 77.7 m -67.19 -21.96 65.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 -175.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.58 ' HG2' HD22 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -59.8 -52.2 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 172.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.18 -31.03 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.894 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 12.6 mm-40 -58.41 -59.23 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.921 0.867 . . . . 0.0 110.89 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' B' ' 69' ' ' MET . 16.8 mt -83.82 -27.36 28.82 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.882 -172.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.455 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 64.0 t80 -46.31 -38.98 9.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.822 0.449 . . . . 0.0 112.065 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -15.96 62.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -110.01 -18.04 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 90.5 mtp -65.49 143.31 98.64 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.452 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.72 173.53 12.49 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.804 2.336 . . . . 0.0 111.958 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.38 -51.15 71.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.148 0.499 . . . . 0.0 110.937 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 89.7 mttt -119.11 159.66 23.54 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.777 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -123.73 115.56 45.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.156 -171.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -80.84 164.91 22.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -55.2 -40.82 71.21 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.347 0.521 . . . . 0.0 111.126 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.51 -44.07 92.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.245 0.545 . . . . 0.0 110.239 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -63.47 -35.84 81.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.838 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.77 77.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.772 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -71.34 -42.03 57.71 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.323 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 32.4 m -55.24 -53.15 59.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 111.421 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 94.6 m95 -81.94 -29.19 32.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.144 -177.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.3 -47.84 88.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.117 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 13.8 ptm180 -68.92 -30.94 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 0.0 110.76 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -65.67 -35.56 81.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.135 0.493 . . . . 0.0 110.089 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.98 -45.2 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.738 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.433 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.31 -47.19 84.12 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.65 -0.704 . . . . 0.0 113.214 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 91' ' ' LYS . 11.0 pt-20 -67.22 -39.87 86.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 110.81 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.71 -50.26 65.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 111.017 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' B' ' 57' ' ' SER . 97.9 mt -62.25 -40.23 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.21 -26.66 64.06 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.395 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 89.6 mttt -83.21 -41.5 18.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.537 0.684 . . . . 0.0 110.054 177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.3 -44.38 65.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.722 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 91.0 t80 -66.44 -35.55 80.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.795 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.65 -58.85 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.484 ' HA ' ' CG1' ' B' ' 99' ' ' ILE . 40.5 mt-10 -68.77 -17.46 64.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -176.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 13.9 ptmt -81.8 -51.93 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.425 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 1.7 t-160 -112.35 -41.89 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -173.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.491 ' HA ' HG13 ' B' ' 43' ' ' ILE . 72.7 mt -69.38 -32.09 70.9 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.971 0.415 . . . . 0.0 110.506 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.502 HG22 ' H ' ' B' ' 101' ' ' LYS . 49.3 mm -89.95 108.48 26.14 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.187 173.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' B' ' 98' ' ' LEU . 56.5 Cg_endo -75.78 7.45 3.16 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.886 2.39 . . . . 0.0 111.997 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.502 ' H ' HG22 ' B' ' 99' ' ' ILE . 59.6 mttm . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . -83.16 101.29 11.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -82.68 110.33 17.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.9 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -95.31 99.83 11.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.034 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -111.15 -19.38 12.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.119 0.485 . . . . 0.0 109.912 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -91.57 96.51 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -112.95 29.17 8.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.335 0.588 . . . . 0.0 110.402 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -82.68 99.48 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.212 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.71 68.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.533 0.683 . . . . 0.0 112.138 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.68 5.5 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.337 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -84.3 91.16 7.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.37 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.33 -17.68 17.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.898 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.27 103.25 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.67 30.11 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.377 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 90.9 mtp -126.71 56.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -79.02 -28.78 43.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -112.69 146.34 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.562 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m 60.66 62.94 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 109.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.07 108.45 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.182 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -102.62 135.33 19.53 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.763 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.67 66.28 6.59 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.736 2.291 . . . . 0.0 112.67 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -77.54 -33.63 54.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.422 0.629 . . . . 0.0 109.722 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' B' ' 72' ' ' LYS . 41.6 tt0 -98.65 134.41 41.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.867 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.51 ' SD ' ' HD1' ' B' ' 14' ' ' TRP . 20.7 ptp -99.92 136.13 40.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.448 HG22 ' HG2' ' B' ' 72' ' ' LYS . 18.0 p -67.7 154.82 40.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.921 -174.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' B' ' 66' ' ' TYR . 19.6 ptmt -52.86 -42.12 64.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.112 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.06 -43.25 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.65 90.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.51 ' HD1' ' SD ' ' B' ' 9' ' ' MET . 87.3 t90 -60.37 -51.54 69.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.703 176.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 62' ' ' GLN . 68.7 mt -54.5 -44.74 72.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.962 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.2 -41.27 88.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.007 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 -26.57 26.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.024 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.454 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 0.4 OUTLIER -86.64 -39.97 15.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.49 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 1.2 p -52.51 -51.64 71.06 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.49 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 89.7 Cg_endo -79.37 -5.54 14.3 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.621 1.548 . . . . 0.0 113.043 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -93.69 -15.25 25.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.308 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.636 ' O ' HG12 ' B' ' 26' ' ' ILE . 92.1 mt -68.23 -44.78 38.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.874 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 93.8 Cg_exo -46.41 -35.85 16.82 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.737 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.47 -54.27 48.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.4 -33.14 62.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.636 HG12 ' O ' ' B' ' 22' ' ' LEU . 50.2 mm -59.6 -55.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.122 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 35.4 t -60.69 -42.46 97.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.467 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.34 -35.18 73.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.595 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.5 82.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.577 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -83.25 -11.65 57.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.5 mt -96.94 -46.22 12.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.043 0.449 . . . . 0.0 110.522 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -40.56 90.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.311 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' B' ' 35' ' ' ASP . 20.0 t70 -75.32 122.36 87.13 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.362 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.2 Cg_exo -62.59 -31.38 79.72 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.776 2.318 . . . . 0.0 112.578 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' B' ' 33' ' ' ASP . 6.0 m-20 -73.28 -38.21 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.53 -30.64 33.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.521 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.97 -26.01 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.069 0.461 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -57.76 -49.12 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.201 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 43' ' ' ILE . 22.3 tpp180 -72.21 -39.93 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.785 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.56 -41.35 76.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.432 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.54 -40.99 66.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.179 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -57.69 -33.22 68.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.015 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 39' ' ' ARG . 31.4 mm -94.2 -4.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.371 0.605 . . . . 0.0 110.941 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.55 43.51 22.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.639 ' SD ' ' HZ ' ' B' ' 93' ' ' PHE . 49.9 ttm -94.94 149.69 20.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.029 -174.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.3 p -121.53 162.32 20.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.859 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 63.9 t80 -52.72 -47.95 67.0 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.9 -30.45 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.482 -177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' B' ' 53' ' ' LEU . 6.4 tp-100 -71.53 -41.12 69.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.395 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.277 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 10.1 m -59.46 -50.49 73.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 15.4 m -65.94 -13.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 49' ' ' GLN . 11.7 t -91.41 -13.66 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.398 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 13.9 mt -101.05 -14.25 17.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 50' ' ' CYS . 49.6 mm -76.5 -43.96 3.29 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 88.2 Cg_exo -49.18 -18.32 1.92 Allowed 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.299 2.666 . . . . 0.0 114.032 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.15 -44.22 72.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.86 0.362 . . . . 0.0 110.414 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.454 ' HB3' HG23 ' B' ' 89' ' ' ILE . 17.2 t -84.04 -24.35 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.788 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.421 HG23 HG22 ' B' ' 54' ' ' ILE . 63.7 p -58.68 -48.43 81.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 110.526 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -70.05 -33.47 71.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.989 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 29.8 ttpt -62.18 -62.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.015 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 64.3 m -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.876 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' B' ' 15' ' ' LEU . 34.1 tt0 -59.5 -57.88 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.78 -29.7 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.043 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 34.9 mm-40 -61.58 -59.05 5.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.717 0.77 . . . . 0.0 110.955 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' B' ' 69' ' ' MET . 13.9 mt -84.8 -27.79 26.58 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.997 -172.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' B' ' 11' ' ' LYS . 67.4 t80 -47.31 -37.92 11.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.91 0.484 . . . . 0.0 112.036 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.43 -28.99 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.764 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -98.59 -13.4 20.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.903 0.383 . . . . 0.0 111.002 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 94.8 mtp -68.22 141.07 93.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.86 175.32 10.95 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 111.561 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.47 -52.45 65.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 0.0 110.902 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' B' ' 10' ' ' THR . 56.9 mttp -121.89 155.71 34.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.275 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.9 mm -118.68 115.33 47.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.837 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -83.95 170.42 14.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.1 t -55.54 -48.16 75.15 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.623 0.249 . . . . 0.0 111.252 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.58 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.7 m -65.14 -32.96 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.36 0.6 . . . . 0.0 110.308 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.07 97.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.886 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 83' ' ' ARG . . . -62.28 -36.8 93.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.779 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -57.53 -54.38 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.218 0.532 . . . . 0.0 111.267 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 86.4 m95 -80.64 -30.36 36.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 -176.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.3 -47.47 90.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.467 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 79' ' ' GLY . 10.8 ptm180 -68.25 -35.96 78.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.461 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' B' ' 83' ' ' ARG . 49.0 m -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.599 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.77 -48.55 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.427 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -56.87 -55.53 29.69 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 113.347 -176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 11.4 pt-20 -64.32 -35.36 80.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.792 0.296 . . . . 0.0 111.183 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.53 -53.0 54.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 110.585 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' B' ' 57' ' ' SER . 96.4 mt -59.25 -46.26 92.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.257 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.65 -38.14 70.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.438 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 99.1 mttt -72.41 -38.83 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.431 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.82 -46.89 67.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.639 ' HZ ' ' SD ' ' B' ' 45' ' ' MET . 85.9 t80 -59.37 -41.38 89.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.731 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.53 -56.41 21.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.712 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.97 -26.63 66.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 93' ' ' PHE . 17.7 ptmt -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.002 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.414 ' N ' ' CG ' ' B' ' 96' ' ' LYS . 2.1 t60 -111.91 -42.26 3.82 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' B' ' 43' ' ' ILE . 91.7 mt -71.3 -32.54 68.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.647 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.453 HG22 ' H ' ' B' ' 101' ' ' LYS . 51.4 mm -92.55 108.18 29.46 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.585 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.8 2.71 7.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.597 2.198 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.453 ' H ' HG22 ' B' ' 99' ' ' ILE . 85.5 mttt . . . . . 0 C--O 1.245 0.831 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.086 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -14' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -13' ' ' ALA . . . . . . . . . . . . . . . 67.81 169.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.284 0.633 . . . . 0.0 111.548 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 33.9 m170 57.66 74.53 0.42 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 -175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 65.96 -166.56 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.116 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 28.5 m80 58.36 60.32 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.943 0.401 . . . . 0.0 111.518 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -127.03 11.41 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' B' ' -7' ' ' HIS . 46.2 m80 -98.11 -14.34 20.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' B' ' -8' ' ' HIS . 54.1 m80 72.91 -40.61 0.48 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.132 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.17 24.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -57.13 -39.15 74.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -113.8 83.85 1.93 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.28 8.28 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.676 -172.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -67.85 106.69 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -102.63 160.93 14.14 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt 65.46 16.11 10.36 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.513 0.508 . . . . 0.0 111.572 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -95.84 -26.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.435 0.636 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.71 153.05 35.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.661 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 66.23 46.46 2.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.891 0.853 . . . . 0.0 109.521 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.84 77.85 9.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.175 -176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 9.1 p30 -158.16 143.33 12.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.634 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' B' ' 7' ' ' ASN . 1.7 Cg_endo -86.55 43.43 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.02 2.48 . . . . 0.0 112.261 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 6' ' ' PRO . 5.0 m-20 69.63 -59.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.697 0.623 . . . . 0.0 110.576 -174.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.11 129.98 54.75 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.64 160.86 13.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.876 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 24.5 p -83.68 163.17 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.735 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -53.79 -42.59 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.743 0.306 . . . . 0.0 111.052 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.45 -44.7 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.017 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.31 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -60.55 -48.6 81.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' B' ' 62' ' ' GLN . 80.3 mt -56.56 -45.69 81.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.1 -39.29 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.159 0.504 . . . . 0.0 111.223 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.5 m -87.31 -26.4 23.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.666 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 17.1 tpt -87.19 -39.08 15.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.909 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.446 ' OG1' ' HD3' ' B' ' 20' ' ' PRO . 2.6 p -52.13 -47.43 91.93 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -173.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' OG1' ' B' ' 19' ' ' THR . 83.1 Cg_endo -80.33 0.66 9.86 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 121.499 1.466 . . . . 0.0 112.64 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.16 -17.27 22.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.231 0.539 . . . . 0.0 109.706 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.617 ' O ' HG12 ' B' ' 26' ' ' ILE . 94.0 mt -68.96 -46.37 31.16 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.052 -177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' HA ' ' B' ' 51' ' ' VAL . 42.0 Cg_exo -45.45 -36.74 13.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.735 2.29 . . . . 0.0 113.865 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.76 -60.77 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.74 -38.19 72.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.724 -175.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.617 HG12 ' O ' ' B' ' 22' ' ' LEU . 44.2 mm -65.88 -55.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 50' ' ' CYS . 16.7 t -62.67 -39.79 95.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -56.83 -39.61 74.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.04 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.74 -26.69 68.91 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.986 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' B' ' 36' ' ' LEU . 96.7 m-85 -89.1 -20.36 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 27' ' ' CYS . 70.1 mt -87.76 -41.29 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.168 0.509 . . . . 0.0 110.799 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.8 -12.04 59.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.305 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 36' ' ' LEU . 13.9 t70 -95.6 124.15 53.88 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.86 -40.38 12.57 Favored 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.955 2.437 . . . . 0.0 112.609 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.37 -38.19 77.93 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' B' ' 30' ' ' PHE . 87.3 mt -75.97 -31.95 59.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.987 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 31' ' ' ILE . 27.4 tptp -60.83 -25.2 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 14.2 mmmm -61.9 -47.8 83.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.376 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.47 ' O ' HG12 ' B' ' 43' ' ' ILE . 13.3 tpp180 -73.08 -35.0 66.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.516 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -59.02 -38.36 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.81 -42.95 63.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.747 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 38' ' ' LYS . 40.1 mm-40 -57.17 -33.0 66.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.861 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' B' ' 39' ' ' ARG . 29.9 mm -93.34 -8.89 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 110.82 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 32.37 21.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.577 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 36.3 ttp -86.37 154.17 21.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.434 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -119.71 165.9 13.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.026 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.691 ' HA ' ' SG ' ' B' ' 27' ' ' CYS . 45.4 t80 -57.35 -41.59 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 110.484 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.78 -27.19 69.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.371 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' HG22 ' B' ' 52' ' ' THR . 5.6 tp-100 -71.82 -46.22 58.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' B' ' 27' ' ' CYS . 35.1 m -54.28 -45.07 72.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.811 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' B' ' 23' ' ' PRO . 17.1 m -69.71 -12.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -172.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.577 HG22 ' O ' ' B' ' 49' ' ' GLN . 1.3 t -92.59 -15.6 26.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.598 . . . . 0.0 110.105 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 49' ' ' GLN . 51.1 mt -96.63 -33.03 11.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.033 -176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 50' ' ' CYS . 46.2 mm -66.61 -42.67 47.23 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HA ' ' OG1' ' B' ' 58' ' ' THR . 72.3 Cg_exo -51.86 -18.22 6.36 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.795 2.33 . . . . 0.0 113.118 176.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.5 -47.45 48.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.038 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.488 ' HB3' HG23 ' B' ' 89' ' ' ILE . 9.7 t -79.69 -28.39 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.461 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.471 HG23 HG22 ' B' ' 54' ' ' ILE . 63.4 p -56.52 -47.28 79.68 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.92 -39.51 83.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 24.1 ttmm -59.82 -59.32 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.632 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.43 -24.34 63.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.508 ' HG3' HD13 ' B' ' 15' ' ' LEU . 52.7 tt0 -57.36 -58.14 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.049 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.42 -30.84 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 60' ' ' LYS . 54.0 mm-40 -58.81 -57.38 13.27 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.784 0.802 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' B' ' 69' ' ' MET . 17.8 mt -85.53 -28.28 25.03 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.561 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -51.37 -34.73 35.42 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.842 0.457 . . . . 0.0 111.415 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.13 -21.02 64.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.597 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -107.03 -24.05 12.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 65' ' ' LEU . 92.6 mtp -58.03 144.21 76.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.696 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.37 172.99 11.28 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.886 2.391 . . . . 0.0 111.874 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.94 -50.19 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.2 0.524 . . . . 0.0 110.611 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 95.0 mttt -117.55 163.38 16.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.647 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.81 109.7 23.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.317 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -81.99 166.04 20.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.685 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 4.9 p -51.48 -47.83 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -67.38 -37.92 83.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.713 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 4.2 m -64.26 -33.05 74.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.389 0.614 . . . . 0.0 110.071 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.06 91.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.138 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.05 -32.45 80.7 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.079 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' B' ' 83' ' ' ARG . 23.4 m -62.46 -52.13 64.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 111.06 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' B' ' 65' ' ' LEU . 93.6 m95 -81.73 -26.56 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.64 -42.84 99.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.119 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' B' ' 80' ' ' THR . 12.6 ptt180 -69.02 -35.45 76.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.6 t -65.49 -42.3 92.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.187 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 22' ' ' LEU . 80.6 mt -61.7 -43.83 98.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.766 174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.43 ' HA2' HD11 ' B' ' 26' ' ' ILE . . . -59.14 -50.7 64.98 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 113.536 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 83' ' ' ARG . 9.8 pt-20 -68.09 -33.05 73.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.036 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.66 -53.41 22.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.518 HG21 HG23 ' B' ' 54' ' ' ILE . 96.3 mt -58.23 -40.88 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.102 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.11 61.81 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.787 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 87' ' ' GLU . 28.3 mtpp -76.09 -45.71 32.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.314 0.578 . . . . 0.0 110.234 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.519 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 24.6 t70 -71.1 -40.71 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.533 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -61.67 -39.01 89.87 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.64 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.72 67.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.322 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.57 -27.73 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.53 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' B' ' 92' ' ' ASP . 66.2 mttm -68.63 -66.79 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.828 0.347 . . . . 0.0 111.834 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -110.61 -32.69 6.81 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' B' ' 43' ' ' ILE . 84.9 mt -73.08 -31.19 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 42.3 mm -90.62 109.84 37.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.74 1.71 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.837 2.358 . . . . 0.0 112.667 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.769 -177.341 . . . . . . . . 0 0 . 1 stop_ save_