data_1bcv_residue 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 1bcv _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -111.15 -60.86 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.15 59.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . -99.61 -119.76 4.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.11 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -72.01 152.14 42.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.66 168.46 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.19 154.8 20.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -41.95 137.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -98.5 145.86 26.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.05 170.82 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -117.74 179.69 0.78 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -74.99 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -143.45 85.72 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -99.73 -179.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 155' ' ' VAL . . . -139.59 -46.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -28.37 20.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.56 167.14 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.79 -97.61 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.8 p -51.61 173.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.533 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . -95.58 173.82 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 100.2 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.57 14.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -50.04 161.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.24 164.13 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.07 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.3 mt -109.69 170.8 7.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.471 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -153.85 179.66 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.97 -178.0 3.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -139.61 85.3 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.87 -179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.55 -46.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.44 -28.37 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 102.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 164.82 23.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.19 172.41 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.537 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 155.69 -103.18 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.03 116.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.43 152.08 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.23 154.0 41.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -47.36 159.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.79 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -66.05 159.56 25.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.47 161.16 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.07 155.15 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.475 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -169.89 179.72 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 4.5 ptt180 -111.01 71.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.42 -179.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.58 -46.25 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -112.3 -28.38 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.11 59.21 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.14 -98.62 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.0 m -84.49 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . -73.13 175.83 44.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -39.81 112.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.54 138.61 40.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.24 144.19 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -107.2 153.76 22.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.04 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.9 m -135.13 146.97 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.23 154.0 21.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.472 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -94.56 179.71 1.15 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.01 179.98 5.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -129.66 80.16 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -179.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.62 -46.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -112.01 -27.54 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.86 149.04 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.09 -63.02 0.58 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 t -77.71 59.95 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.533 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . -93.21 -142.65 11.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.09 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.49 107.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -173.44 -143.39 4.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.94 163.6 19.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -145.6 160.95 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.73 121.02 2.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.21 164.92 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.34 156.6 34.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.476 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -83.6 179.71 1.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -74.99 165.13 31.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -125.17 76.52 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.68 -46.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -94.81 -27.53 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 141.62 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -99.54 -70.43 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 m -113.16 59.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 168.41 107.08 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -91.96 110.14 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -105.35 147.97 16.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.26 -55.63 4.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.61 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.71 -121.05 2.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.5 p -158.53 163.27 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.4 148.11 24.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.478 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -125.06 179.69 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.799 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 77.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -88.03 -179.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 155' ' ' VAL . . . -139.61 -46.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.88 -27.52 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.75 165.98 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.74 -61.24 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.13 172.74 6.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.537 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 166.74 -119.28 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.744 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 94.17 9.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.07 -146.84 9.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -58.27 -55.64 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -41.69 158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.0 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.123 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 71.2 m -157.75 158.6 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.06 165.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.476 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -79.21 179.7 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -148.67 77.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -89.37 -179.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.6 -46.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -112.52 -27.56 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.406 ' O ' ' CG2' ' A' ' 155' ' ' VAL . 87.6 mt-30 -72.56 162.98 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -116.36 170.71 13.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.6 m -102.88 174.78 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 109.64 -135.77 13.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -57.74 147.49 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 134.44 175.06 13.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.4 145.27 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.23 149.35 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.69 -121.0 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 t -141.58 167.67 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.69 152.14 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.48 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -95.11 179.69 1.13 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 172.87 15.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 88.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -85.21 -179.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.42 ' N ' HG22 ' A' ' 155' ' ' VAL . . . -139.81 -46.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 12.0 ttm105 -88.13 -27.64 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.464 ' CB ' HG23 ' A' ' 155' ' ' VAL . 19.7 mt-30 -78.38 59.21 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 40.72 56.55 3.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.8 p -151.85 55.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 58.21 110.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.82 96.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.63 -144.17 7.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.38 150.73 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -71.38 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.79 121.02 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.6 m -142.66 167.02 23.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.13 159.27 22.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.474 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -116.72 179.72 0.76 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.98 -178.24 4.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -132.64 82.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -119.42 -179.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 155' ' ' VAL . . . -140.47 -45.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 -28.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 156' ' ' ALA . 2.9 tt0 -85.15 150.0 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.97 74.95 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.432 1.083 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -167.47 58.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' CG1' ' A' ' 144' ' ' VAL . . . 103.35 -111.11 3.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.06 116.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -56.49 106.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.84 -135.8 43.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 158.62 44.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -56.92 146.61 26.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.09 2.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 p -154.63 154.35 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -69.2 155.85 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . . . -130.13 179.7 1.26 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.02 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -122.88 75.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -86.92 -178.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 155' ' ' VAL . . . -140.48 -45.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -41.28 -28.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 155' ' ' VAL . 1.8 pp0? -151.23 143.6 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -111.15 -60.86 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.15 59.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.866 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -99.61 -119.76 4.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.11 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -72.01 152.14 42.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.66 168.46 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.19 154.8 20.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -41.95 137.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -98.5 145.86 26.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -167.05 170.82 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -117.74 179.69 0.78 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -74.99 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -143.45 85.72 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -99.73 -179.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.59 -46.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -28.37 20.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.52 ' CB ' HG21 ' A' ' 155' ' ' VAL . 0.5 OUTLIER -81.56 167.14 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.79 -97.61 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.8 p -51.61 173.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.876 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -95.58 173.82 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 100.2 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.57 14.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -50.04 161.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.24 164.13 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.07 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.3 mt -109.69 170.8 7.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.847 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -153.85 179.66 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.847 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.97 -178.0 3.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -139.61 85.3 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -113.87 -179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.557 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.55 -46.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.44 -28.37 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.572 ' HB3' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -61.52 102.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 164.82 23.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.19 172.41 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.851 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 155.69 -103.18 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.03 116.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.43 152.08 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.23 154.0 41.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -47.36 159.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.79 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -66.05 159.56 25.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.47 161.16 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.07 155.15 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -169.89 179.72 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 4.5 ptt180 -111.01 71.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -85.42 -179.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.569 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.58 -46.25 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -112.3 -28.38 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.558 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -88.11 59.21 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.14 -98.62 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.0 m -84.49 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.858 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -73.13 175.83 44.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -39.81 112.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.54 138.61 40.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.24 144.19 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -107.2 153.76 22.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.04 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.9 m -135.13 146.97 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.23 154.0 21.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -94.56 179.71 1.15 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.01 179.98 5.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -129.66 80.16 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -97.15 -179.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.558 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.62 -46.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -112.01 -27.54 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.473 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -61.86 149.04 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.09 -63.02 0.58 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 t -77.71 59.95 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.86 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -93.21 -142.65 11.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.09 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.49 107.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -173.44 -143.39 4.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.94 163.6 19.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -145.6 160.95 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.73 121.02 2.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.21 164.92 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.34 156.6 34.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.873 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -83.6 179.71 1.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.873 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -74.99 165.13 31.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -125.17 76.52 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -93.57 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.68 -46.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -94.81 -27.53 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.536 ' CB ' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -68.87 141.62 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -99.54 -70.43 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 m -113.16 59.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.876 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 168.41 107.08 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -91.96 110.14 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -105.35 147.97 16.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.26 -55.63 4.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.61 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.71 -121.05 2.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.5 p -158.53 163.27 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.4 148.11 24.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.866 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -125.06 179.69 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.866 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.799 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 77.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -88.03 -179.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.61 -46.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.88 -27.52 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.484 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -71.75 165.98 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.74 -61.24 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.13 172.74 6.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.877 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 166.74 -119.28 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.744 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 94.17 9.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.07 -146.84 9.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -58.27 -55.64 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -41.69 158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.0 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.123 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 71.2 m -157.75 158.6 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.06 165.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -79.21 179.7 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -148.67 77.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.684 HG21 ' O ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -89.37 -179.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.6 -46.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -112.52 -27.56 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.684 ' O ' HG21 ' A' ' 155' ' ' VAL . 87.6 mt-30 -72.56 162.98 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -116.36 170.71 13.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.6 m -102.88 174.78 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 109.64 -135.77 13.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -57.74 147.49 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 134.44 175.06 13.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.4 145.27 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.23 149.35 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.69 -121.0 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 t -141.58 167.67 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.69 152.14 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.86 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -95.11 179.69 1.13 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.86 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 172.87 15.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 88.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.644 HG21 ' CB ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -85.21 -179.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.81 -46.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 12.0 ttm105 -88.13 -27.64 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.644 ' CB ' HG21 ' A' ' 155' ' ' VAL . 19.7 mt-30 -78.38 59.21 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 40.72 56.55 3.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.8 p -151.85 55.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.868 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 58.21 110.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.82 96.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.63 -144.17 7.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.38 150.73 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -71.38 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.79 121.02 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.6 m -142.66 167.02 23.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.13 159.27 22.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.862 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -116.72 179.72 0.76 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.862 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.98 -178.24 4.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -132.64 82.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.554 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -119.42 -179.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.554 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -140.47 -45.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 -28.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 156' ' ' ALA . 2.9 tt0 -85.15 150.0 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 159' ' ' LEU . 2.8 tt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.97 74.95 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.432 1.083 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -167.47 58.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.851 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 103.35 -111.11 3.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.06 116.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -56.49 106.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.84 -135.8 43.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 158.62 44.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -56.92 146.61 26.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.09 2.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 p -154.63 154.35 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.98 HD13 ' O ' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -69.2 155.85 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -130.13 179.7 1.26 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.02 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -122.88 75.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -86.92 -178.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.558 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -140.48 -45.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -41.28 -28.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 155' ' ' VAL . 1.8 pp0? -151.23 143.6 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -111.15 -60.86 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.15 59.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.866 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -99.61 -119.76 4.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.11 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -72.01 152.14 42.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.66 168.46 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.19 154.8 20.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -41.95 137.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -98.5 145.86 26.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -167.05 170.82 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -117.74 179.69 0.78 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -74.99 174.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -143.45 85.72 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -99.73 -179.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.59 -46.25 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -28.37 20.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.52 ' CB ' HG21 ' A' ' 155' ' ' VAL . 0.5 OUTLIER -81.56 167.14 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.79 -97.61 0.27 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.8 p -51.61 173.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.876 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -95.58 173.82 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 100.2 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.57 14.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -50.04 161.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.24 164.13 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.07 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m -102.24 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.3 mt -109.69 170.8 7.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.847 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -153.85 179.66 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.847 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.97 -178.0 3.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -139.61 85.3 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -113.87 -179.24 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.557 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.55 -46.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.44 -28.37 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.572 ' HB3' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -61.52 102.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -62.27 164.82 23.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.19 172.41 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.851 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 155.69 -103.18 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.03 116.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.43 152.08 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.23 154.0 41.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -47.36 159.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.79 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -66.05 159.56 25.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.77 121.07 2.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.47 161.16 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.07 155.15 18.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -169.89 179.72 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 4.5 ptt180 -111.01 71.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -85.42 -179.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.569 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.58 -46.25 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -112.3 -28.38 7.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.558 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -88.11 59.21 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -165.14 -98.62 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.0 m -84.49 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.858 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -73.13 175.83 44.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -39.81 112.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.54 138.61 40.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -89.24 144.19 26.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -107.2 153.76 22.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.68 121.04 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.9 m -135.13 146.97 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.23 154.0 21.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -94.56 179.71 1.15 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.01 179.98 5.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -129.66 80.16 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -97.15 -179.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.558 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.62 -46.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -112.01 -27.54 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.473 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -61.86 149.04 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 125.09 -63.02 0.58 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 t -77.71 59.95 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.86 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -93.21 -142.65 11.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.09 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.49 107.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -173.44 -143.39 4.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.94 163.6 19.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -145.6 160.95 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.73 121.02 2.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.21 164.92 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.058 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.34 156.6 34.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.873 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -83.6 179.71 1.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.873 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -74.99 165.13 31.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -125.17 76.52 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -93.57 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.68 -46.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -94.81 -27.53 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.536 ' CB ' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -68.87 141.62 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -99.54 -70.43 0.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 m -113.16 59.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.876 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 168.41 107.08 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.1 116.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -91.96 110.14 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -105.35 147.97 16.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.26 -55.63 4.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.61 172.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.71 -121.05 2.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.5 p -158.53 163.27 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.4 148.11 24.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.866 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -125.06 179.69 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.866 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.01 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.799 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 77.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -88.03 -179.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.61 -46.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.88 -27.52 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.484 ' O ' HG21 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -71.75 165.98 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.74 -61.24 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.13 172.74 6.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.877 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 166.74 -119.28 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.744 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 94.17 9.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.07 -146.84 9.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -58.27 -55.64 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -41.69 158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.0 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.123 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 71.2 m -157.75 158.6 35.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.06 165.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -79.21 179.7 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.02 -178.78 4.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -148.67 77.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.684 HG21 ' O ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -89.37 -179.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.57 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.6 -46.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -112.52 -27.56 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.684 ' O ' HG21 ' A' ' 155' ' ' VAL . 87.6 mt-30 -72.56 162.98 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -116.36 170.71 13.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.6 m -102.88 174.78 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 109.64 -135.77 13.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -57.74 147.49 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 134.44 175.06 13.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.4 145.27 24.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.23 149.35 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.69 -121.0 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 t -141.58 167.67 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.69 152.14 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.86 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -95.11 179.69 1.13 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.86 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.2 Cg_endo -75.03 172.87 15.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 88.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.644 HG21 ' CB ' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -85.21 -179.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -139.81 -46.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 12.0 ttm105 -88.13 -27.64 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.644 ' CB ' HG21 ' A' ' 155' ' ' VAL . 19.7 mt-30 -78.38 59.21 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 40.72 56.55 3.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.8 p -151.85 55.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.868 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 58.21 110.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.07 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.82 96.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.63 -144.17 7.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.38 150.73 21.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -71.38 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.79 121.02 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.6 m -142.66 167.02 23.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.13 159.27 22.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.862 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -116.72 179.72 0.76 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.862 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.3 Cg_endo -74.98 -178.24 4.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -132.64 82.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.554 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -119.42 -179.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.554 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -140.47 -45.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.14 -28.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 156' ' ' ALA . 2.9 tt0 -85.15 150.0 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 159' ' ' LEU . 2.8 tt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.97 74.95 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.432 1.083 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -167.47 58.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.011 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.851 ' O ' HG13 ' A' ' 144' ' ' VAL . . . 103.35 -111.11 3.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER 175.06 116.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -56.49 106.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.84 -135.8 43.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 158.62 44.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -56.92 146.61 26.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -121.68 -121.09 2.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.0 p -154.63 154.35 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.98 HD13 ' O ' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -69.2 155.85 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 153' ' ' PRO . . . -130.13 179.7 1.26 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 152' ' ' ALA . 18.4 Cg_endo -75.02 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -122.88 75.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 156' ' ' ALA . 0.7 OUTLIER -86.92 -178.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.558 ' N ' HG23 ' A' ' 155' ' ' VAL . . . -140.48 -45.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -41.28 -28.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 155' ' ' VAL . 1.8 pp0? -151.23 143.6 24.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 stop_ save_