data_1wgh_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 1wgh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD1' HG12 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.562 HG13 ' CD2' ' A' ' 73' ' ' PHE . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.414 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 92' ' ' VAL . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' N ' HG23 ' A' ' 91' ' ' THR . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.414 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 79.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 94' ' ' HIS . 17.9 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HG12 ' CD1' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.538 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 81' ' ' GLY . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.512 ' HE2' ' CG ' ' A' ' 69' ' ' TYR . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HD13 ' A' ' 22' ' ' ILE . 34.8 m80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CE2' HG21 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 81' ' ' GLY . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 69' ' ' TYR . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HD13 ' NE2' ' A' ' 94' ' ' HIS . 6.4 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 92' ' ' VAL . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.413 ' N ' HG23 ' A' ' 91' ' ' THR . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.406 ' NE2' HD13 ' A' ' 22' ' ' ILE . 12.5 m170 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CD2' HD13 ' A' ' 74' ' ' LEU . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 94' ' ' HIS . 5.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' TYR . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' ALA . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 92' ' ' VAL . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.404 ' N ' HG21 ' A' ' 91' ' ' THR . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 22' ' ' ILE . 13.2 m80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 58.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' CZ ' ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.593 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.593 ' NE2' ' CD1' ' A' ' 31' ' ' PHE . 56.6 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 82' ' ' ALA . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 92' ' ' VAL . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' THR . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.448 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.8 t60 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 84' ' ' LYS . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE3' ' CD1' ' A' ' 69' ' ' TYR . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 91' ' ' THR . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 32.4 t60 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 82' ' ' ALA . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 91' ' ' THR . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 74' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.546 HG21 ' CE2' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.3 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.552 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ARG . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' TYR . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 81' ' ' GLY . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.413 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' GLY . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' THR . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 84' ' ' LYS . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 55.3 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.2 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' ALA . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.555 ' HE3' ' CD2' ' A' ' 69' ' ' TYR . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 7.6 t60 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.521 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.443 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.51 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 48.7 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE2' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LYS . 65.9 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' LEU . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE1' ' CG ' ' A' ' 69' ' ' TYR . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 m170 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.405 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 92' ' ' VAL . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 91' ' ' THR . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.455 ' HE1' ' CD1' ' A' ' 74' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 t60 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 82' ' ' ALA . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 33' ' ' PHE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CD1' ' CE1' ' A' ' 94' ' ' HIS . 23.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 82' ' ' ALA . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.569 ' HE1' ' CD1' ' A' ' 69' ' ' TYR . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.521 ' CE1' ' CD1' ' A' ' 22' ' ' ILE . 25.3 m80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 98.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 21' ' ' LEU . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.539 HG13 ' CD2' ' A' ' 73' ' ' PHE . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' ALA . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.564 ' HE3' ' CD1' ' A' ' 69' ' ' TYR . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.7 m80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.568 HG12 ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 69' ' ' TYR . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLY . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE2' ' CG ' ' A' ' 69' ' ' TYR . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.4 m170 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -161.61 159.71 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -158.06 146.36 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.99 157.65 27.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.74 99.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -138.62 122.76 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.79 122.55 0.93 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -163.68 128.16 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.27 123.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.33 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -154.54 135.61 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -75.89 136.98 69.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.6 mt -114.24 154.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -161.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.17 139.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t 74.59 -63.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . -171.38 -128.4 1.03 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLY . 40.9 mttt 56.34 109.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -143.55 164.33 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 144.47 24.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.68 135.33 36.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD1' HG12 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 36.0 t60 -44.74 -52.99 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG13 ' CH2' ' A' ' 50' ' ' TRP . 88.1 t -50.79 -53.97 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -54.68 -50.61 67.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 2.7 m120 -69.03 165.02 21.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 46' ' ' VAL . 3.5 m0 62.83 152.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -179.27 113.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.62 48.84 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -172.49 117.75 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.46 -58.54 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 140.83 51.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -174.04 77.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.88 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.29 -179.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.84 83.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.0 m -160.86 141.17 8.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.71 18.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -69.11 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 pt -50.99 -46.06 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.7 87.96 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 143.34 32.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.69 132.36 46.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.562 HG13 ' CD2' ' A' ' 73' ' ' PHE . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.414 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 92' ' ' VAL . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' N ' HG23 ' A' ' 91' ' ' THR . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.414 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -110.26 153.92 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 3.9 tt -126.12 148.92 49.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 68' ' ' ILE . 32.0 m -154.61 165.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 108.03 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -178.32 121.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.66 -12.77 36.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.8 p -123.08 -168.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 158.33 87.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.77 156.74 61.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.49 116.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.07 146.47 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -67.25 156.39 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.21 70.5 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -151.3 111.31 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 143.4 31.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 p -110.24 156.46 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.6 99.29 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.86 27.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 84.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -177.14 161.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.71 -58.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.08 160.56 30.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.57 -148.56 18.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -173.93 165.75 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 132.79 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 118.2 1.99 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -166.42 154.51 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -100.85 162.51 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 79.2 t -59.12 137.25 88.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 94' ' ' HIS . 17.9 mt -104.05 124.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -84.06 152.32 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -26.89 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 t -66.99 -41.66 86.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.14 -64.3 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.84 135.62 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -121.22 162.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 132.18 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.9 130.66 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD1' HG12 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HG12 ' CD1' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -40.27 -56.22 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG13 ' CH2' ' A' ' 50' ' ' TRP . 64.6 t -47.54 -59.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.31 -47.97 77.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -38.82 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -78.05 166.17 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.521 ' CH2' HG13 ' A' ' 46' ' ' VAL . 12.0 m0 70.6 150.56 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 154.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.48 93.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -148.06 -48.06 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.17 122.63 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.47 164.62 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.31 -59.02 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.47 -65.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -174.87 43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 64' ' ' ILE . 33.9 m -128.8 144.36 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -147.3 29.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -77.38 148.52 77.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 -27.6 9.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' ILE . 29.2 m-80 -63.37 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' CD1' HG23 ' A' ' 59' ' ' VAL . 43.5 pt -37.53 -43.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -86.03 152.59 22.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' N ' HD11 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -146.63 160.86 41.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.538 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 81' ' ' GLY . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.512 ' HE2' ' CG ' ' A' ' 69' ' ' TYR . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HD13 ' A' ' 22' ' ' ILE . 34.8 m80 -107.86 154.21 21.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -120.03 147.59 44.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 ' N ' HD23 ' A' ' 95' ' ' LEU . 31.8 m -150.56 158.59 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.56 139.79 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.17 137.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.65 -10.79 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 48.8 p -115.86 -178.6 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 157.09 87.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.13 5.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -125.18 156.92 68.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.8 4.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.91 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -129.02 136.87 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.76 -59.0 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.51 68.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 60.48 77.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.258 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 116.12 22.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.22 170.82 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.61 -152.49 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.9 87.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.74 37.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.69 72.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -170.22 164.57 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.46 100.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.85 95.41 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.04 122.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.23 74.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.25 155.35 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p 179.91 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 m -174.81 -63.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 127.85 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -93.76 136.13 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 46' ' ' VAL . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 28' ' ' THR . 61.2 mt -108.03 124.23 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD12 ' CH2' ' A' ' 50' ' ' TRP . 7.1 mt -93.87 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 m -50.06 -27.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -45.57 92.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 134.74 -61.36 0.64 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 21.0 mtpt -39.97 146.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' CB ' HG12 ' A' ' 22' ' ' ILE . 3.9 t -132.13 166.22 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -142.19 174.52 10.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -118.81 125.47 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' CE2' HG21 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -41.97 -64.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 21' ' ' LEU . 85.8 t -43.08 -68.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -46.5 -53.52 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -45.08 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' TRP . 15.4 m-80 -87.09 93.54 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER 162.01 162.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.552 1.817 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.23 127.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.6 81.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.517 ' CZ3' ' HB1' ' A' ' 97' ' ' ALA . 72.3 m95 -126.56 -81.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -179.67 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.01 69.86 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.93 146.91 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -155.58 38.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -51.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.64 30.43 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 152.76 85.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.39 20.37 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -71.39 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 99' ' ' GLU . 3.0 pt -51.11 -34.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -107.05 92.28 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.2 147.75 43.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.18 126.75 47.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 81' ' ' GLY . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 69' ' ' TYR . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.1 157.17 18.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -121.42 146.98 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.42 ' N ' HD21 ' A' ' 95' ' ' LEU . 27.8 m -147.74 154.65 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.517 ' HB1' ' CZ3' ' A' ' 54' ' ' TRP . . . -127.22 162.47 26.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.62 175.22 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.7 pt-20 -124.54 -40.72 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 p -113.98 -164.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.67 157.44 86.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.46 156.19 57.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -168.99 168.63 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t -93.3 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -176.79 109.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 41.15 -142.29 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -167.83 149.74 5.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 149.92 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.99 121.41 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.88 137.72 13.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t 61.21 168.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.7 t 55.38 94.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 90.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.12 169.94 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 98.44 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.56 124.67 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.82 128.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 80.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.39 92.21 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 101.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 p -71.32 136.84 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.47 137.27 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.654 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -53.63 136.91 53.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HD13 ' NE2' ' A' ' 94' ' ' HIS . 6.4 mt -104.81 147.38 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -75.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 m -123.79 71.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.88 29.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -140.21 -124.45 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLY . 19.3 mttt -39.53 129.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' LEU . 9.3 t -147.16 164.92 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 143.66 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.48 139.98 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 -41.8 -58.02 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' ASN . 18.6 t -45.13 -51.25 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -58.47 -38.5 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 1.3 m-20 -99.6 36.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 48' ' ' ASP . 15.2 m-80 -159.75 128.53 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.25 94.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.7 41.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.76 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 55.56 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -43.76 -55.93 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -175.62 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.76 79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -91.9 91.43 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.7 m 40.29 -158.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -58.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.53 166.98 13.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.12 17.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -57.95 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.5 pt -41.25 -35.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 99.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.47 152.72 22.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -106.81 135.36 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 92' ' ' VAL . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.413 ' N ' HG23 ' A' ' 91' ' ' THR . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.406 ' NE2' HD13 ' A' ' 22' ' ' ILE . 12.5 m170 -104.9 157.12 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 2.4 tt -114.74 148.46 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' CG2' ' CD1' ' A' ' 68' ' ' ILE . 34.9 m -155.65 164.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.43 105.09 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.2 164.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' C ' ' CG2' ' A' ' 100' ' ' THR . 3.8 tt0 -101.52 -15.16 17.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.422 ' CG2' ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.84 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.24 154.57 30.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.87 41.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.28 158.42 34.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.65 9.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -140.72 117.41 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 p -135.94 120.58 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -158.94 -60.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.16 72.7 1.22 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -146.92 78.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 0.721 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.79 155.38 39.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 t -137.01 91.43 2.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.71 128.51 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.18 4.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 m 53.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.09 81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -154.6 119.9 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 109.964 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -168.37 164.88 12.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.72 168.58 18.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -169.57 146.45 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -153.09 162.44 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 89.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.15 160.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.38 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m 43.91 82.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 147.39 44.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -52.33 135.83 41.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 28' ' ' THR . 25.5 mt -139.1 137.81 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 -69.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' SER . 31.6 m -135.69 77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.5 t 38.95 42.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.45 -133.68 3.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 142.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' CB ' HG12 ' A' ' 22' ' ' ILE . 12.5 t -139.75 166.1 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.4 163.98 31.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -106.94 129.89 54.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 46' ' ' VAL . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -41.36 -63.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 31' ' ' PHE . 58.9 t -40.87 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -51.62 -54.21 30.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.78 -54.37 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 32.4 m-80 -98.34 94.13 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 1.3 m0 174.86 87.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.29 4.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.36 142.2 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.96 99.51 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -53.36 107.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.3 108.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.33 82.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -96.47 154.07 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -165.16 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m -109.22 159.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.72 33.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.32 141.57 7.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -12.15 21.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.74 -64.04 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -46.67 -30.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -93.93 119.19 32.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.65 149.15 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.67 128.62 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CD2' HD13 ' A' ' 74' ' ' LEU . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.41 164.27 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 2.9 tt -131.91 149.61 52.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 33.3 m -156.96 167.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 104.45 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.31 134.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' C ' ' CG2' ' A' ' 100' ' ' THR . 0.4 OUTLIER -87.3 -20.14 27.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.31 163.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.466 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.09 153.77 43.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.8 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -48.52 157.94 0.66 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.16 10.32 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t30 61.22 99.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t -176.66 121.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.1 89.59 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -174.56 111.35 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.59 130.4 53.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -134.24 121.14 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.04 -71.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ARG . . . 86.67 161.34 35.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.87 10.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.0 p -175.05 136.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.4 p -179.44 153.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -167.75 151.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 139.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -142.57 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 89.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.64 155.63 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 141.55 3.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 149.47 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.21 91.24 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.59 96.84 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -161.91 144.72 11.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.26 137.41 86.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 94' ' ' HIS . 5.8 mt -105.82 118.0 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.2 176.24 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -41.51 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.9 t 85.34 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.057 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.09 -47.01 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 161.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.455 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -145.31 165.55 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 174.4 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.82 125.82 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' ND2' ' A' ' 49' ' ' ASN . 4.2 t60 -54.05 -54.97 31.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG12 ' CZ3' ' A' ' 50' ' ' TRP . 54.2 t -44.26 -56.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE1' ' CZ3' ' A' ' 54' ' ' TRP . 2.7 m-85 -62.77 -52.64 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.23 -53.63 20.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 22.9 m-80 -75.01 87.88 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m0 169.27 152.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 37.65 87.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 75.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 172.48 176.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -39.5 121.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.07 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.38 115.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.19 157.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 m -171.83 33.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -137.67 136.32 20.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -40.76 -49.46 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 99' ' ' GLU . 20.0 pt -78.44 64.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.36 115.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -160.86 150.16 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -114.35 127.31 55.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' TYR . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' ALA . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 92' ' ' VAL . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' N ' HG21 ' A' ' 91' ' ' THR . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 22' ' ' ILE . 13.2 m80 -111.16 138.77 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -115.02 142.79 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 68' ' ' ILE . 30.6 m -150.01 167.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.45 107.83 9.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 177.67 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -172.56 -55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -89.47 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.98 154.67 13.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.55 152.73 64.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 52.45 3.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.574 1.828 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -175.76 113.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 m -101.93 80.75 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.93 130.12 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.12 157.45 39.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -55.06 129.21 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.37 143.31 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.23 114.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.49 93.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.74 32.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -162.69 152.32 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 100.06 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -58.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.16 94.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.19 81.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -134.74 83.56 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -143.8 170.28 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.15 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.43 97.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p -145.18 93.4 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.22 -66.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.05 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 58.0 t -45.84 140.17 4.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' CZ ' ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -135.58 119.8 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -108.62 -95.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 m -118.54 172.94 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t 74.32 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.01 -41.2 1.08 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -45.23 121.84 3.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -100.11 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 115.36 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 131.07 35.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.593 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CZ ' HG21 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 56.6 t60 -44.01 -63.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG13 ' CH2' ' A' ' 50' ' ' TRP . 92.1 t -44.46 -57.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -53.79 -49.35 68.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -48.15 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.0 m120 -63.49 179.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.493 ' CH2' HG13 ' A' ' 46' ' ' VAL . 26.9 m0 61.82 95.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 68.72 5.73 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ttm -157.82 137.59 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.46 142.43 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.15 100.11 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.92 88.12 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 179.62 6.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.23 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.66 141.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 30.59 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -82.37 152.18 67.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -7.7 19.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -133.66 95.12 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 99' ' ' GLU . 1.1 pt -151.34 -46.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -74.18 120.63 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.77 161.9 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -111.97 126.94 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 82' ' ' ALA . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 92' ' ' VAL . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' THR . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.448 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -106.01 156.98 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 96' ' ' VAL . 3.1 tt -129.07 149.9 50.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.42 ' N ' HD22 ' A' ' 95' ' ' LEU . 34.2 m -149.23 167.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ARG . . . -128.62 136.35 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 161.88 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 100' ' ' THR . 0.4 OUTLIER -73.5 -13.38 61.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.428 ' CG2' ' C ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 56.86 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -100.66 154.63 37.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.98 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 153.39 83.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 50.54 2.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -142.69 122.24 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -166.47 100.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.47 130.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.05 168.69 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 137.84 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.24 148.84 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.07 148.31 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.18 86.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.73 10.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.9 p -179.49 159.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -177.93 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -175.16 100.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -156.71 157.45 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.98 150.89 8.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.128 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 50.06 86.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 p -160.0 126.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 103.45 2.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -42.79 117.51 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 0.725 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 152.01 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 135.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -156.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.32 137.85 55.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 3.8 mt -105.63 99.37 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD23 ' CH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -72.76 -64.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 m -77.08 -172.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -89.05 40.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 177.05 -87.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -39.23 146.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.455 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 1.4 t -154.07 149.54 27.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -106.53 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -118.82 133.23 55.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.584 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 69.8 t60 -46.99 -62.05 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.9 t -49.85 -67.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CZ ' ' CE3' ' A' ' 54' ' ' TRP . 0.4 OUTLIER -45.25 -37.27 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -45.12 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.584 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.7 m120 -68.03 87.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.489 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 169.89 151.75 0.16 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.492 1.785 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.51 103.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -173.48 79.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' CE3' ' CZ ' ' A' ' 47' ' ' TYR . 10.2 m95 -153.0 166.68 31.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -112.43 69.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.59 176.06 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.13 -55.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.45 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.66 171.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -174.23 34.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -99.12 147.12 32.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -17.95 18.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.85 -31.31 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pt -107.7 56.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -153.61 93.27 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 142.64 36.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -110.17 128.09 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 84' ' ' LYS . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE3' ' CD1' ' A' ' 69' ' ' TYR . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -102.95 163.6 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 96' ' ' VAL . 0.4 OUTLIER -124.93 145.02 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' N ' HD22 ' A' ' 95' ' ' LEU . 22.7 m -147.7 173.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.73 118.92 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.84 165.6 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -137.26 -44.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.3 p -87.96 -169.55 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.89 156.79 90.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -134.03 156.83 78.85 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -139.64 164.82 28.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 m -139.85 125.08 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.99 87.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.56 86.27 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -109.88 123.04 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 126.39 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.6 t 177.67 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -41.92 114.06 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.7 m -50.96 168.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 t -126.01 -57.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 71.74 -59.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -101.68 158.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -158.42 14.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p 55.3 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 65.34 127.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.23 112.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt -112.18 134.65 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.35 110.93 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 121.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -85.07 175.97 8.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.7 135.92 35.09 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 91' ' ' THR . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mt -99.25 139.37 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.01 -82.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -121.65 74.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.05 33.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.63 -127.32 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -40.3 135.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -145.41 164.52 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -135.28 128.29 31.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.48 131.79 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CD2' HG21 ' A' ' 46' ' ' VAL . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.581 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 32.4 t60 -40.0 -59.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG2' ' HG ' ' A' ' 21' ' ' LEU . 72.8 t -46.07 -61.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -52.16 -51.51 57.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -45.82 60.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.9 m120 -62.77 -59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.449 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 1.1 m0 -54.31 117.48 13.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.02 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.69 5.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 tmm? 56.41 81.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -137.2 80.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -175.53 145.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.39 51.49 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.79 61.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -89.64 74.96 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.31 40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -127.18 158.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.11 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -140.22 142.07 28.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.67 14.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.07 -29.03 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 pt -111.59 65.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.34 126.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.41 138.12 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -99.55 122.52 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 82' ' ' ALA . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 91' ' ' THR . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 74' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -101.07 151.86 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.473 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -117.64 145.63 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 30.4 m -156.56 158.15 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.9 107.38 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 6.7 tpt180 178.06 147.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 3.8 tt0 -63.35 -149.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.8 p -105.86 -178.48 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.83 158.05 38.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 79.39 2.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -135.09 160.18 69.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 81.25 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.32 172.84 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -174.39 120.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.69 134.08 33.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.84 147.55 17.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.93 115.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 60.6 113.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -170.18 112.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 167.96 12.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.61 33.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.59 170.05 16.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.38 170.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -145.08 157.21 44.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 118.14 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -160.64 152.19 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -110.76 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.76 179.03 36.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -132.56 -56.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -167.28 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 58.29 92.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 63.29 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t -62.3 136.45 95.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 2.8 mp -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD23 ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -127.78 -84.13 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -124.65 170.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.86 -55.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.81 -42.09 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.96 130.05 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 4.5 t -105.62 157.49 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -121.47 131.97 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -90.82 123.93 34.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.546 HG21 ' CE2' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -43.98 -53.33 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.546 HG11 ' CZ2' ' A' ' 50' ' ' TRP . 50.8 t -55.53 -45.13 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -65.47 -17.88 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.05 28.47 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.33 -47.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.546 ' CZ2' HG11 ' A' ' 46' ' ' VAL . 7.2 m0 -89.11 157.83 47.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 ttm -42.84 -66.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 55.97 176.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 1.3 m-90 55.53 173.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 107.965 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.66 53.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 161.0 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.66 -54.16 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' VAL . 7.3 tt0 -177.62 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' GLN . 5.8 m -39.79 -54.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.64 31.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 m -71.52 146.45 91.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -21.57 15.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -58.1 -37.47 74.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 pt -91.42 67.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.62 134.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.22 162.9 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.57 133.49 51.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.552 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ARG . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' TYR . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 81' ' ' GLY . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.63 161.42 17.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -129.58 146.67 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.437 ' N ' HD22 ' A' ' 95' ' ' LEU . 31.1 m -151.94 161.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.39 105.86 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.7 tpp180 -173.21 142.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 100' ' ' THR . 6.0 pt-20 -63.63 -148.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.416 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 74.0 p -119.37 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.19 154.41 8.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.62 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.8 153.63 52.14 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 50.58 2.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -80.04 110.88 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.76 142.77 48.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -54.23 156.32 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.05 103.85 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -177.31 58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 108.14 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.4 t -175.77 143.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.19 107.06 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -176.13 2.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.7 t -168.91 137.0 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 170.83 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 161.43 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -164.98 -58.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.74 -125.88 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.59 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.28 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 89.12 1.09 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtp -119.11 92.3 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.42 127.69 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 -69.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 141.97 47.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t -68.05 135.72 91.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.37 108.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 tp -99.67 -84.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -126.96 -178.34 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 t 70.27 -66.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.7 -52.28 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -40.39 125.75 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -95.22 162.32 13.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 114.95 19.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.56 133.2 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -42.55 -51.53 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG11 ' CH2' ' A' ' 50' ' ' TRP . 98.3 t -49.64 -58.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.43 -46.23 86.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.35 -49.07 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.56 170.76 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CH2' HG11 ' A' ' 46' ' ' VAL . 13.2 m0 68.65 95.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.91 57.46 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.54 167.95 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 58.62 84.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 108.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -138.28 72.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -167.13 68.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.97 174.52 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -171.54 -39.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.9 m -44.47 145.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 24.78 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -73.25 153.32 90.37 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -6.94 18.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -133.17 95.4 3.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -151.87 -46.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.46 92.68 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 125.84 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -97.03 142.44 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.413 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' GLY . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' THR . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 84' ' ' LYS . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -103.59 164.93 11.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 96' ' ' VAL . 1.4 tt -127.59 148.66 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG21 ' CD1' ' A' ' 68' ' ' ILE . 35.6 m -150.69 159.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 105.86 8.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -157.21 152.84 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -114.95 -12.06 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.24 161.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.53 153.57 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.78 2.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.68 153.02 42.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.25 3.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.38 92.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -174.42 87.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -166.42 141.69 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -158.24 69.99 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -170.77 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.02 88.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.08 124.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.44 111.98 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.07 35.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -116.6 160.96 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.97 170.25 17.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.05 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -173.16 168.68 4.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.073 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.76 69.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 120.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 0.808 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -164.32 161.67 21.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.22 168.31 22.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.83 93.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 -56.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.97 103.98 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.0 m80 -43.48 136.07 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 55.3 t 61.33 143.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -132.6 124.34 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.547 HD23 ' CZ3' ' A' ' 50' ' ' TRP . 3.5 mm? -111.39 -85.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.0 m -126.32 176.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t 69.03 -66.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.44 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -43.26 121.0 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 9.7 t -102.64 161.07 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' N ' ' HG1' ' A' ' 28' ' ' THR . 1.1 mmtt -124.77 138.72 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.56 127.2 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -43.73 -53.57 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' ' CH2' ' A' ' 50' ' ' TRP . 33.1 t -58.85 -55.75 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -49.3 -48.81 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.67 -39.76 37.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.46 164.24 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.66 ' CH2' ' CG1' ' A' ' 46' ' ' VAL . 12.8 m0 75.42 95.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.72 -177.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.41 174.58 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -100.11 177.08 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 174.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.15 177.08 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 170.32 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -178.35 54.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -123.8 163.97 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.73 84.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.61 168.13 18.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -8.53 20.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.581 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 62.4 m-80 -76.27 -44.3 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 65' ' ' LEU . 10.9 pt -69.9 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER 168.29 43.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -163.58 178.27 8.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.43 125.93 51.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CZ ' ' OD1' ' A' ' 63' ' ' ASN . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 82' ' ' ALA . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.555 ' HE3' ' CD2' ' A' ' 69' ' ' TYR . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -98.83 108.31 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -89.82 142.96 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 15.9 m -155.82 139.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 98' ' ' ARG . . . -129.77 104.18 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' ALA . 2.3 mtt-85 51.73 175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -18.84 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 p -122.56 131.82 54.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 pp -41.18 156.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.01 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.8 157.03 0.49 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.56 1.821 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -139.25 97.17 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -99.49 125.23 45.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -155.74 -58.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.7 -178.69 18.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.3 115.91 30.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.29 143.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.76 -176.6 42.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.91 11.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.3 m -136.03 96.29 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -68.68 -58.46 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.09 80.29 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -172.86 161.44 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 149.9 5.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.12 142.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -176.87 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 150.84 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.13 101.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m 62.34 83.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.4 110.28 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -169.06 165.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.1 136.39 36.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 46' ' ' VAL . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt -89.25 127.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD11 ' CH2' ' A' ' 50' ' ' TRP . 4.1 mt -114.61 170.67 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -44.46 161.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.5 t 81.6 -55.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.65 -43.14 0.94 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.7 137.21 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -131.11 160.14 35.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.415 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.25 173.02 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -124.35 126.61 46.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 65' ' ' LEU . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 7.6 t60 -44.82 -60.68 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 21' ' ' LEU . 59.3 t -43.04 -64.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -58.54 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.47 -57.4 4.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 9.4 m-80 -79.63 85.66 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 4.4 m0 178.63 120.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.03 32.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.5 ttt 71.76 -58.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 62.02 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.91 145.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 107.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.96 152.91 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.85 172.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.19 173.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 178.16 46.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.5 157.75 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 31.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -56.7 148.53 46.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -76.68 -39.79 50.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.99 65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER 176.39 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' N ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -152.29 133.44 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.69 125.28 39.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CG ' ' HE3' ' A' ' 93' ' ' MET . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.521 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.443 ' HE3' ' CG ' ' A' ' 69' ' ' TYR . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.51 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 -108.75 143.64 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.57 142.74 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 33.6 m -156.31 168.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.27 105.45 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -167.41 154.29 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' C ' ' CG2' ' A' ' 100' ' ' THR . 4.0 tt0 -86.1 -12.08 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 56.68 161.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 pp -84.81 154.19 61.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.44 13.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.93 157.71 7.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.6 5.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.97 174.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 92.37 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -115.71 165.86 12.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -130.78 -125.32 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.13 153.66 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.52 139.92 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -56.59 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.85 141.58 10.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m 66.76 111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -180.0 127.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -167.41 79.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m 62.76 162.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.48 67.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.63 88.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -158.19 148.68 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 65.73 0.7 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -131.86 111.53 11.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -158.5 85.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.48 128.41 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 60.29 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 48.7 t -104.35 141.02 21.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG12 ' CB ' ' A' ' 28' ' ' THR . 13.9 mt -109.4 114.38 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD23 ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tp -106.7 -179.94 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.4 170.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -58.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.68 -46.51 0.86 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 120.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.421 ' CB ' HG12 ' A' ' 22' ' ' ILE . 8.9 t -115.3 160.65 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.52 136.31 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 135.93 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE2' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 65.9 t60 -40.09 -66.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG2' ' HG ' ' A' ' 21' ' ' LEU . 81.8 t -49.19 -65.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -42.29 -37.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.81 -46.27 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.2 m120 -68.76 90.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 167.37 93.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.03 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.2 ttt -145.01 133.09 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLU . 6.1 m-20 -41.61 -50.14 4.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.46 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 71.34 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.1 tt0 78.08 -174.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.28 104.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.03 159.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -170.04 54.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.27 175.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -130.94 29.43 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 149.0 98.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.57 21.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.08 -47.85 69.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 99' ' ' GLU . 1.4 pt -92.37 54.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.47 82.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.09 121.23 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.99 130.25 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE1' ' A' ' 93' ' ' MET . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' LEU . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE1' ' CG ' ' A' ' 69' ' ' TYR . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -108.81 162.06 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.479 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.7 tt -127.92 147.43 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 29.8 m -157.09 155.92 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 107.04 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -178.31 149.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 5.4 pt-20 -130.0 121.87 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -141.46 173.51 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.29 156.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.15 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.44 153.89 44.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.6 148.28 51.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.3 t -121.1 80.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.47 150.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.85 -165.24 10.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -101.77 143.56 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.29 143.64 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t 67.68 170.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.74 103.79 2.13 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -155.43 164.77 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -91.95 -57.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -168.5 142.02 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.38 160.06 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.43 127.95 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.91 96.71 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m 57.97 169.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.09 -123.2 7.61 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.56 111.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 0.717 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -152.95 134.36 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 104.16 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.07 168.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.76 136.09 51.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 3.5 mt -114.27 149.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 m -61.21 -150.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.44 37.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.45 -56.55 0.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.66 155.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -146.16 154.64 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -108.03 123.58 48.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -80.51 124.09 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' CB ' HD12 ' A' ' 65' ' ' LEU . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -40.62 -47.12 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG13 ' CZ3' ' A' ' 50' ' ' TRP . 84.4 t -57.06 -58.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.56 -45.93 80.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.38 -61.06 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -92.61 106.1 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CZ3' HG13 ' A' ' 46' ' ' VAL . 3.0 t90 65.1 87.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.813 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.82 88.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.94 167.47 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -106.98 -59.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.06 176.14 7.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.41 141.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.72 109.91 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -169.71 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.24 154.4 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -171.06 32.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -131.36 145.68 58.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -21.51 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -61.56 -24.98 67.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 99' ' ' GLU . 1.2 pt -120.81 63.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -179.83 135.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -156.12 153.69 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -104.47 132.45 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' CD1' ' CG2' ' A' ' 96' ' ' VAL . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 92' ' ' VAL . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 91' ' ' THR . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -101.27 153.7 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -112.4 149.2 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 27.6 m -156.35 162.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.48 119.66 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 171.51 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -144.11 -97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 99' ' ' GLU . 8.6 p 45.55 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.3 mt -83.48 154.44 65.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.95 28.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.88 152.87 38.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 52.84 3.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 55.46 179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.18 97.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -94.85 161.04 14.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -135.93 131.23 5.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 156.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 161.08 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 p -144.78 165.44 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.21 157.35 51.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.12 23.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -146.13 148.06 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.6 p -169.15 160.04 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t 179.16 94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -163.92 156.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 92.2 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -134.42 118.85 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -152.3 131.89 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 -177.96 36.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttp -171.68 132.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 104.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 99.38 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.8 166.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.613 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t -87.97 136.57 32.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt -101.01 146.48 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.42 -77.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -122.23 74.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.75 34.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.41 -115.54 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -40.26 132.17 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -153.4 165.01 37.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -139.87 142.97 36.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.32 126.99 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 65' ' ' LEU . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -48.21 -54.03 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG12 ' CH2' ' A' ' 50' ' ' TRP . 63.4 t -47.92 -51.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.07 -52.13 66.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.09 -49.62 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.53 164.59 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CH2' HG12 ' A' ' 46' ' ' VAL . 6.7 m0 70.88 118.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -56.63 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.05 166.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -109.69 121.65 45.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 62.15 119.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -172.42 115.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -61.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 177.17 45.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 m -131.63 160.91 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.02 32.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.72 148.18 50.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -9.52 20.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -77.75 -25.5 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -109.58 30.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -154.34 136.22 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.0 146.92 27.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -112.66 128.89 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.455 ' HE1' ' CD1' ' A' ' 74' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.24 152.55 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 96' ' ' VAL . 2.2 tt -114.1 149.43 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 68' ' ' ILE . 31.0 m -147.28 158.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.5 113.3 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.82 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.426 ' C ' ' CG2' ' A' ' 100' ' ' THR . 4.0 tt0 -86.98 -13.39 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.426 ' CG2' ' C ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 56.59 162.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.6 mt -48.62 154.5 1.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.8 172.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 66.45 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -74.7 143.7 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 m 57.75 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 66.06 108.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.17 85.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -156.65 166.05 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.767 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -174.99 144.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -136.31 166.95 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.78 -141.6 14.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.57 16.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 m -105.41 102.02 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.58 148.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.098 . . . . 0.0 110.993 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.63 95.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.0 168.98 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 88.54 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -91.81 82.64 5.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.55 169.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 65.3 1.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttp -154.88 106.91 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.86 122.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 -70.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.71 160.77 18.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 135.65 91.41 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 28' ' ' THR . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mt -91.91 139.9 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -174.39 -146.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LEU . 14.3 m 37.21 -143.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -84.97 46.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 96.07 -50.96 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -37.83 129.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 21' ' ' LEU . 9.0 t -121.26 164.59 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 174.39 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.46 124.45 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' HG12 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -39.75 -55.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 69.1 t -44.04 -51.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.5 -54.46 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.3 -37.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -74.56 -80.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.673 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 29.8 m0 -44.97 105.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.28 6.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.84 176.29 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.21 146.4 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -48.61 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -126.67 175.8 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.67 110.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.41 -179.63 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -176.69 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLN . 5.8 m -39.85 -59.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 39.36 82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -131.63 150.42 76.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.0 17.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -71.09 -17.91 62.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG22 ' CA ' ' A' ' 99' ' ' GLU . 1.2 pt -119.75 45.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -148.29 102.54 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.95 128.91 55.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -103.82 123.77 47.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 82' ' ' ALA . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 33' ' ' PHE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -105.82 149.97 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -115.4 144.8 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 95' ' ' LEU . 34.2 m -155.91 169.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.75 43.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 169.08 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' CA ' HG22 ' A' ' 64' ' ' ILE . 3.7 mm-40 -138.2 -74.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 p -76.35 -161.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.57 154.72 78.83 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.96 34.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.06 158.11 10.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -29.33 8.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.07 105.95 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -178.49 103.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -160.42 158.73 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 178.6 83.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -147.21 159.53 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.74 162.84 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.1 t -107.54 -60.05 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.89 97.83 2.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.97 17.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -112.97 164.84 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.9 m -107.22 128.95 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.63 81.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.07 159.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 72.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.078 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -122.91 100.63 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.053 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -89.88 112.29 23.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 130.47 3.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -53.67 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.4 100.1 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 t -99.08 89.93 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.92 163.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.01 137.42 95.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 46' ' ' VAL . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CD1' ' CE1' ' A' ' 94' ' ' HIS . 23.7 mt -93.23 145.7 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' CD2' ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER -92.04 -74.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.46 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.46 37.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.21 -120.36 0.75 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.56 136.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -149.08 160.35 43.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 135.6 50.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -83.94 131.25 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.26 -67.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 21' ' ' LEU . 47.3 t -40.69 -62.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -49.82 -51.43 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.35 -57.02 12.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 38.5 m-80 -93.06 95.39 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 173.76 137.89 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -53.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.1 mmt -121.76 125.75 47.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.595 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 21.3 m-20 -102.41 -63.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -160.04 147.71 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.34 46.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.15 71.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.26 170.88 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -173.59 38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.31 178.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.21 31.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -113.1 132.59 22.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.37 17.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -71.71 -23.9 61.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.25 67.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.16 161.02 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' ' 100' ' ' THR . 0.6 OUTLIER -163.49 133.45 4.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER -119.92 129.83 54.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' ' HE1' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 82' ' ' ALA . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.569 ' HE1' ' CD1' ' A' ' 69' ' ' TYR . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.521 ' CE1' ' CD1' ' A' ' 22' ' ' ILE . 25.3 m80 -106.92 157.12 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -108.74 146.64 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' N ' HD23 ' A' ' 95' ' ' LEU . 8.8 m -151.94 176.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.19 116.34 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -179.14 156.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.11 -72.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 8.8 t -174.25 -149.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.4 OUTLIER -77.95 157.35 79.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.9 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.71 155.86 38.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -32.52 5.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t30 64.91 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 t -173.83 114.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.09 120.63 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.2 110.88 0.42 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.99 139.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -158.56 147.97 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -171.36 154.29 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -164.11 150.17 18.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 p -142.22 162.98 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.0 m -81.64 163.55 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -162.08 87.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -171.88 -58.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -161.06 25.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.92 88.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 63.02 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -174.23 38.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -113.45 -56.6 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.32 157.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.59 121.19 22.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -154.95 149.76 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.543 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 98.7 t -83.88 135.3 42.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 21' ' ' LEU . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -96.61 141.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.17 -67.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 m -133.8 75.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 m 39.06 40.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -156.7 -121.94 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mttp -40.31 128.67 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -144.02 162.62 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 133.79 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -80.84 124.8 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 -40.34 -61.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -40.68 -63.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -54.5 -54.03 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -48.45 -53.92 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.587 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 27.2 m-80 -98.52 93.16 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 176.96 162.04 0.5 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.02 41.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 106.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.72 132.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CD1' ' N ' ' A' ' 55' ' ' GLU . 15.7 t-105 -173.4 163.99 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 3.0 tt0 -103.84 77.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 6.7 mp0 -56.03 -64.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.2 tt0 80.99 -64.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.72 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' CG2' HD12 ' A' ' 64' ' ' ILE . 26.8 m -140.65 151.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -153.23 32.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -107.83 151.04 41.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.27 16.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.82 93.96 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 59' ' ' VAL . 1.4 pt -147.01 -46.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.66 165.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.86 144.44 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.91 128.34 54.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.539 HG13 ' CD2' ' A' ' 73' ' ' PHE . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' ALA . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.564 ' HE3' ' CD1' ' A' ' 69' ' ' TYR . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -106.17 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 96' ' ' VAL . 1.5 tt -118.13 148.24 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.425 ' N ' HD22 ' A' ' 95' ' ' LEU . 19.6 m -150.5 173.53 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.08 104.35 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -179.42 114.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 9.9 t -172.34 -148.36 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.7 OUTLIER -75.31 152.24 85.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.1 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -140.87 159.46 62.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.21 5.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -49.34 133.06 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -64.35 138.53 58.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -110.63 117.6 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.22 92.62 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.64 153.29 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p 61.0 104.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 160.24 76.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t 51.03 83.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -105.3 -58.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -58.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 66.54 116.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.93 68.04 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 133.18 35.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 100.2 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.77 73.37 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.77 163.46 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 171.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 87.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -92.1 173.85 7.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -42.43 138.05 2.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mt -116.67 155.74 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.413 ' CG2' ' N ' ' A' ' 25' ' ' SER . 3.1 m -60.6 -152.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.413 ' N ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -89.57 37.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 123.1 -56.13 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -40.24 151.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -144.49 163.53 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.66 127.85 52.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -80.64 126.08 30.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.568 HG12 ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -39.84 -65.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.605 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 94.6 t -40.23 -63.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.88 -51.42 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -51.88 -55.03 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 24.6 m-80 -97.29 95.21 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.605 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 1.6 m0 170.46 120.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.19 2.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.809 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.28 83.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.65 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -83.11 101.01 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.37 132.79 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.09 -70.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' OE1' ' NH1' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -127.4 -43.17 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -171.46 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.68 155.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -155.56 24.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.25 143.94 31.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.94 19.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 65' ' ' LEU . 68.3 m-80 -67.96 -71.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ASN . 1.1 pt -40.01 -31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 63' ' ' ASN . 0.3 OUTLIER -63.79 99.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.1 141.52 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.03 130.91 41.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.489 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.519 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 69' ' ' TYR . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 81' ' ' GLY . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE2' ' CG ' ' A' ' 69' ' ' TYR . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -109.62 164.81 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -135.11 142.58 46.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' N ' HD22 ' A' ' 95' ' ' LEU . 34.5 m -150.33 165.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.97 120.62 25.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 2.6 tpt180 -177.81 146.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 100' ' ' THR . 2.6 tt0 -88.51 -108.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER 54.95 166.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.08 154.09 71.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.52 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -128.06 159.01 69.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.56 10.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -127.74 160.52 31.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.1 t -167.83 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -122.2 145.26 48.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.68 112.76 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -161.55 136.85 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.63 133.13 44.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.03 147.65 42.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.14 122.27 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p -157.23 166.16 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.6 143.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 13' ' ' PRO . 85.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD2' HD11 ' A' ' 22' ' ' ILE . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 20' ' ' ARG . 33.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 83' ' ' LEU . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.493 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 17' ' ' ILE . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 32' ' ' LEU . 79.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 19' ' ' LEU . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.602 ' O ' HD22 ' A' ' 19' ' ' LEU . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.661 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD11 HG13 ' A' ' 92' ' ' VAL . 17.9 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 79' ' ' THR . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.849 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.538 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' ILE . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 93' ' ' MET . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 38' ' ' SER . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 17' ' ' ILE . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 22' ' ' ILE . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.661 ' SD ' HD12 ' A' ' 19' ' ' LEU . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 18' ' ' ASN . 65.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.707 HG22 ' CD2' ' A' ' 19' ' ' LEU . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.513 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.707 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 21' ' ' LEU . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' THR . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.792 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.787 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 38' ' ' SER . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 17' ' ' ILE . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.787 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG13 ' HD2' ' A' ' 13' ' ' PRO . 87.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.6 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 18' ' ' ASN . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.577 ' CA ' HG22 ' A' ' 79' ' ' THR . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.703 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.667 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 67' ' ' LEU . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CA ' ' A' ' 38' ' ' SER . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' ILE . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.416 HG21 ' CE ' ' A' ' 93' ' ' MET . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' HD11 ' A' ' 67' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.5 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 79' ' ' THR . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 91' ' ' THR . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 38' ' ' SER . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.757 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' HA2' ' A' ' 88' ' ' GLY . 96.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.51 ' HD1' ' HE2' ' A' ' 45' ' ' HIS . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.51 ' HE2' ' HD1' ' A' ' 31' ' ' PHE . 4.2 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.79 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 68' ' ' ILE . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ASN . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 17' ' ' ILE . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.471 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.79 ' SD ' HD11 ' A' ' 67' ' ' LEU . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' ASN . 58.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.651 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.677 ' HB2' HG21 ' A' ' 12' ' ' VAL . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.86 ' CZ ' HG21 ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.603 ' CA ' HG22 ' A' ' 79' ' ' THR . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.595 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' NE2' ' CD1' ' A' ' 31' ' ' PHE . 56.6 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD11 ' HE2' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.544 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 75' ' ' HIS . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 17' ' ' ILE . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.86 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.727 ' SD ' HD11 ' A' ' 67' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 13' ' ' PRO . 71.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' A' ' 80' ' ' LEU . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' HG21 ' A' ' 12' ' ' VAL . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.539 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.795 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 83' ' ' LEU . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.539 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' A' ' 17' ' ' ILE . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 74' ' ' LEU . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.472 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.795 ' SD ' HD11 ' A' ' 67' ' ' LEU . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 18' ' ' ASN . 76.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 80' ' ' LEU . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.627 ' HB2' HG21 ' A' ' 12' ' ' VAL . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 33' ' ' PHE . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.83 HD11 HG13 ' A' ' 92' ' ' VAL . 4.9 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.499 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.613 ' CA ' HG22 ' A' ' 79' ' ' THR . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.96 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 32.4 t60 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' ILE . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.54 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.613 HG22 ' CA ' ' A' ' 38' ' ' SER . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 17' ' ' ILE . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG13 HD11 ' A' ' 22' ' ' ILE . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.722 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.722 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.674 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 79' ' ' THR . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.674 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HG23 ' A' ' 91' ' ' THR . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 68' ' ' ILE . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 38' ' ' SER . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.533 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.761 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.566 ' C ' HD22 ' A' ' 19' ' ' LEU . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.848 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 79' ' ' THR . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.848 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 83' ' ' LEU . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 38' ' ' SER . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' ILE . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 74' ' ' LEU . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.596 ' SD ' HD12 ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 18' ' ' ASN . 55.3 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.985 ' HB2' HG21 ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 90' ' ' THR . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.569 ' CB ' HG22 ' A' ' 79' ' ' THR . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.967 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 73' ' ' PHE . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 68' ' ' ILE . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 HD21 ' A' ' 67' ' ' LEU . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 79' ' ' THR . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 38' ' ' SER . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.967 ' SD ' HD11 ' A' ' 67' ' ' LEU . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 18' ' ' ASN . 84.2 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.518 ' HD2' HD23 ' A' ' 21' ' ' LEU . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.84 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.84 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 12.0 t-80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.52 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' ILE . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 69' ' ' TYR . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.509 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD13 ' HB ' ' A' ' 17' ' ' ILE . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 67' ' ' LEU . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 13' ' ' PRO . 48.7 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.805 HG22 ' CD2' ' A' ' 19' ' ' LEU . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 19' ' ' LEU . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.805 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 92' ' ' VAL . 13.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.452 ' HD2' HD23 ' A' ' 21' ' ' LEU . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 HG13 ' A' ' 12' ' ' VAL . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.502 ' CA ' HG22 ' A' ' 79' ' ' THR . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LYS . 65.9 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HE1' HG23 ' A' ' 91' ' ' THR . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 93' ' ' MET . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.502 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.502 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 69' ' ' TYR . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 22' ' ' ILE . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 19' ' ' LEU . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 18' ' ' ASN . 91.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.562 ' O ' HD22 ' A' ' 19' ' ' LEU . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 68' ' ' ILE . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.504 HD13 HD11 ' A' ' 83' ' ' LEU . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 22' ' ' ILE . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.541 ' HB ' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.496 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 21' ' ' LEU . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.918 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 67' ' ' LEU . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.542 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD13 ' HB ' ' A' ' 17' ' ' ILE . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 67' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 ' CG ' ' A' ' 18' ' ' ASN . 74.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.655 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.644 ' CG ' HG21 ' A' ' 12' ' ' VAL . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 HG13 ' A' ' 92' ' ' VAL . 24.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' THR . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD12 HD21 ' A' ' 67' ' ' LEU . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.477 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASN . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 17' ' ' ILE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.561 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 22' ' ' ILE . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' HD12 ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.723 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.656 ' CG ' HG21 ' A' ' 12' ' ' VAL . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.739 HD12 ' NE2' ' A' ' 94' ' ' HIS . 23.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 21' ' ' LEU . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 HG13 ' A' ' 12' ' ' VAL . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 67' ' ' LEU . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 17' ' ' ILE . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 67' ' ' LEU . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.739 ' NE2' HD12 ' A' ' 22' ' ' ILE . 20.1 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' A' ' 88' ' ' GLY . 98.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 92' ' ' VAL . 32.9 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 79' ' ' THR . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.629 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 72' ' ' ARG . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 68' ' ' ILE . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 HD21 ' A' ' 67' ' ' LEU . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 79' ' ' THR . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 38' ' ' SER . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.502 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.427 HG21 ' HE3' ' A' ' 93' ' ' MET . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 67' ' ' LEU . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 13' ' ' PRO . 61.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.578 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.457 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 93' ' ' MET . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 38' ' ' SER . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 17' ' ' ILE . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG13 HD11 ' A' ' 22' ' ' ILE . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 67' ' ' LEU . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.407 ' NE2' HD13 ' A' ' 22' ' ' ILE . 13.4 m170 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -161.61 159.71 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -158.06 146.36 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.99 157.65 27.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.74 99.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -138.62 122.76 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.79 122.55 0.93 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -163.68 128.16 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.27 123.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.33 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -154.54 135.61 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 13' ' ' PRO . 85.4 t -75.89 136.98 69.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD2' HD11 ' A' ' 22' ' ' ILE . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 20' ' ' ARG . 33.6 mt -114.24 154.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -161.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.17 139.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t 74.59 -63.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . -171.38 -128.4 1.03 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLY . 40.9 mttt 56.34 109.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 14.1 t -143.55 164.33 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 144.47 24.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.68 135.33 36.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.928 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 36.0 t60 -44.74 -52.99 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.583 HG13 ' CH2' ' A' ' 50' ' ' TRP . 88.1 t -50.79 -53.97 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -54.68 -50.61 67.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 2.7 m120 -69.03 165.02 21.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.583 ' CH2' HG13 ' A' ' 46' ' ' VAL . 3.5 m0 62.83 152.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -179.27 113.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.62 48.84 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -172.49 117.75 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.46 -58.54 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 140.83 51.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -174.04 77.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.88 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 64' ' ' ILE . 15.9 m -139.29 -179.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.84 83.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 28.0 m -160.86 141.17 8.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.98 -18.71 18.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -69.11 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 99' ' ' GLU . 29.4 pt -50.99 -46.06 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.928 HD21 ' HB1' ' A' ' 43' ' ' ALA . 1.1 tp -97.7 87.96 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 143.34 32.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -100.69 132.36 46.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 83' ' ' LEU . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.493 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 17' ' ' ILE . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -110.26 153.92 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 65' ' ' LEU . 3.9 tt -126.12 148.92 49.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.848 ' N ' HD23 ' A' ' 95' ' ' LEU . 32.0 m -154.61 165.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 108.03 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -178.32 121.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HB2' HG22 ' A' ' 64' ' ' ILE . 9.0 tt0 -63.66 -12.77 36.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.8 p -123.08 -168.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 158.33 87.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.77 156.74 61.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.49 116.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.07 146.47 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -67.25 156.39 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.21 70.5 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -151.3 111.31 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 143.4 31.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 p -110.24 156.46 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.6 99.29 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.86 27.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 84.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -177.14 161.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.71 -58.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.08 160.56 30.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.57 -148.56 18.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -173.93 165.75 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 132.79 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 118.2 1.99 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -166.42 154.51 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -100.85 162.51 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 32' ' ' LEU . 79.2 t -59.12 137.25 88.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 19' ' ' LEU . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.602 ' O ' HD22 ' A' ' 19' ' ' LEU . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD1' HG21 ' A' ' 46' ' ' VAL . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD11 HG13 ' A' ' 92' ' ' VAL . 17.9 mt -104.05 124.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -84.06 152.32 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -26.89 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 t -66.99 -41.66 86.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.14 -64.3 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.84 135.62 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HG1' ' H ' ' A' ' 29' ' ' LYS . 7.0 t -121.22 162.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -138.18 132.18 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.9 130.66 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 79' ' ' THR . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.849 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -40.27 -56.22 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG13 ' CH2' ' A' ' 50' ' ' TRP . 64.6 t -47.54 -59.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.31 -47.97 77.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -38.82 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -78.05 166.17 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HG13 ' A' ' 46' ' ' VAL . 12.0 m0 70.6 150.56 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 154.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.48 93.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -148.06 -48.06 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.17 122.63 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.47 164.62 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.31 -59.02 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.47 -65.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -174.87 43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.8 144.36 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -147.3 29.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -77.38 148.52 77.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 -27.6 9.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' ILE . 29.2 m-80 -63.37 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.706 HG22 ' HA ' ' A' ' 99' ' ' GLU . 43.5 pt -37.53 -43.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.06 HD13 HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -86.03 152.59 22.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.682 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -146.63 160.86 41.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 96' ' ' VAL . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' ILE . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 93' ' ' MET . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 38' ' ' SER . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 17' ' ' ILE . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 22' ' ' ILE . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.661 ' SD ' HD12 ' A' ' 19' ' ' LEU . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.86 154.21 21.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.06 HD21 HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -120.03 147.59 44.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.78 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.8 m -150.56 158.59 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.56 139.79 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.17 137.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 64' ' ' ILE . 4.7 tt0 -79.65 -10.79 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 48.8 p -115.86 -178.6 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 157.09 87.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.13 5.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -125.18 156.92 68.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.8 4.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.91 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -129.02 136.87 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.76 -59.0 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.51 68.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 60.48 77.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.258 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 116.12 22.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.22 170.82 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.61 -152.49 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.9 87.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.74 37.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.69 72.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -170.22 164.57 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.46 100.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.85 95.41 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.04 122.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.23 74.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.25 155.35 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p 179.91 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 m -174.81 -63.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 127.85 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 18' ' ' ASN . 65.3 t -93.76 136.13 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.707 HG22 ' CD2' ' A' ' 19' ' ' LEU . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.707 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 46' ' ' VAL . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 28' ' ' THR . 61.2 mt -108.03 124.23 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD11 ' CH2' ' A' ' 50' ' ' TRP . 7.1 mt -93.87 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 m -50.06 -27.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -45.57 92.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 134.74 -61.36 0.64 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 21.0 mtpt -39.97 146.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.408 ' CB ' HG12 ' A' ' 22' ' ' ILE . 3.9 t -132.13 166.22 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -142.19 174.52 10.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -118.81 125.47 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 21' ' ' LEU . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' THR . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.792 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -41.97 -64.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 95' ' ' LEU . 85.8 t -43.08 -68.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -46.5 -53.52 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -45.08 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' TRP . 15.4 m-80 -87.09 93.54 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER 162.01 162.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.552 1.817 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.23 127.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.6 81.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 97' ' ' ALA . 72.3 m95 -126.56 -81.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -179.67 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.01 69.86 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.93 146.91 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -155.58 38.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -51.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.64 30.43 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 152.76 85.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.39 20.37 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -71.39 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.642 HG21 ' C ' ' A' ' 99' ' ' GLU . 3.0 pt -51.11 -34.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 43' ' ' ALA . 9.0 tp -107.05 92.28 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.2 147.75 43.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.787 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER -101.18 126.75 47.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 38' ' ' SER . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 17' ' ' ILE . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.787 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.1 157.17 18.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -121.42 146.98 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.668 ' H ' HD23 ' A' ' 95' ' ' LEU . 27.8 m -147.74 154.65 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . . . -127.22 162.47 26.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.529 ' HB3' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -170.62 175.22 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.642 ' C ' HG21 ' A' ' 64' ' ' ILE . 3.7 pt-20 -124.54 -40.72 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 64' ' ' ILE . 65.8 p -113.98 -164.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.67 157.44 86.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.46 156.19 57.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -168.99 168.63 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t -93.3 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -176.79 109.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 41.15 -142.29 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -167.83 149.74 5.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 149.92 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.99 121.41 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.88 137.72 13.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t 61.21 168.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.7 t 55.38 94.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 90.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.12 169.94 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 98.44 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.56 124.67 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.82 128.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 80.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.39 92.21 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 101.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 p -71.32 136.84 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.47 137.27 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.654 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG13 ' HD2' ' A' ' 13' ' ' PRO . 87.9 t -53.63 136.91 53.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.6 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 18' ' ' ASN . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.81 147.38 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -75.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' VAL . 23.4 m -123.79 71.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.88 29.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -140.21 -124.45 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLY . 19.3 mttt -39.53 129.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.457 ' HG1' ' C ' ' A' ' 21' ' ' LEU . 9.3 t -147.16 164.92 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 143.66 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.48 139.98 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.577 ' CA ' HG22 ' A' ' 79' ' ' THR . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 46' ' ' VAL . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 -41.8 -58.02 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 42' ' ' ILE . 18.6 t -45.13 -51.25 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -58.47 -38.5 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.6 36.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' VAL . 6.5 m120 -159.75 128.53 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.25 94.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.7 41.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.76 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 55.56 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -43.76 -55.93 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -175.62 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.76 79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -91.9 91.43 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.7 m 40.29 -158.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -58.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.53 166.98 13.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.12 17.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -57.95 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' A' ' 99' ' ' GLU . 18.5 pt -41.25 -35.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 99.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.47 152.72 22.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.667 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -106.81 135.36 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 96' ' ' VAL . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 67' ' ' LEU . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CA ' ' A' ' 38' ' ' SER . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' ILE . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.416 HG21 ' CE ' ' A' ' 93' ' ' MET . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' HD11 ' A' ' 67' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.9 157.12 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 96' ' ' VAL . 2.4 tt -114.74 148.46 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.766 ' N ' HD23 ' A' ' 95' ' ' LEU . 34.9 m -155.65 164.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.43 105.09 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.2 164.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.625 ' C ' HG23 ' A' ' 100' ' ' THR . 3.8 tt0 -101.52 -15.16 17.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.625 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.84 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.24 154.57 30.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.87 41.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.28 158.42 34.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.65 9.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -140.72 117.41 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 p -135.94 120.58 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -158.94 -60.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.16 72.7 1.22 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -146.92 78.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 0.721 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.79 155.38 39.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 t -137.01 91.43 2.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.71 128.51 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.18 4.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 m 53.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.09 81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -154.6 119.9 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 109.964 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -168.37 164.88 12.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.72 168.58 18.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -169.57 146.45 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -153.09 162.44 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 89.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.15 160.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.38 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m 43.91 82.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 147.39 44.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.5 t -52.33 135.83 41.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG12 ' CB ' ' A' ' 28' ' ' THR . 25.5 mt -139.1 137.81 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 -69.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' VAL . 31.6 m -135.69 77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.5 t 38.95 42.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.45 -133.68 3.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 142.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.433 ' CB ' HG12 ' A' ' 22' ' ' ILE . 12.5 t -139.75 166.1 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.4 163.98 31.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -106.94 129.89 54.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 46' ' ' VAL . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 79' ' ' THR . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -41.36 -63.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG22 ' CE2' ' A' ' 31' ' ' PHE . 58.9 t -40.87 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -51.62 -54.21 30.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.78 -54.37 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 32.4 m-80 -98.34 94.13 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 1.3 m0 174.86 87.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.29 4.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.36 142.2 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.96 99.51 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -53.36 107.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.3 108.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.33 82.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -96.47 154.07 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -165.16 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' A' ' 64' ' ' ILE . 8.7 m -109.22 159.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.72 33.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.32 141.57 7.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -12.15 21.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.74 -64.04 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.847 HG22 ' HB3' ' A' ' 99' ' ' GLU . 3.5 pt -46.67 -30.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -93.93 119.19 32.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -118.65 149.15 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -105.67 128.62 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 91' ' ' THR . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 38' ' ' SER . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.757 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.41 164.27 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 96' ' ' VAL . 2.9 tt -131.91 149.61 52.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.812 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.3 m -156.96 167.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 104.45 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.31 134.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.847 ' HB3' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -87.3 -20.14 27.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.31 163.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.466 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.09 153.77 43.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.8 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -48.52 157.94 0.66 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.16 10.32 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t30 61.22 99.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t -176.66 121.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.1 89.59 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -174.56 111.35 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.59 130.4 53.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -134.24 121.14 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.04 -71.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ARG . . . 86.67 161.34 35.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.87 10.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.0 p -175.05 136.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.4 p -179.44 153.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -167.75 151.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 139.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -142.57 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 89.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.64 155.63 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 141.55 3.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 149.47 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.21 91.24 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.59 96.84 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -161.91 144.72 11.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' HA2' ' A' ' 88' ' ' GLY . 96.5 t -70.26 137.41 86.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 5.8 mt -105.82 118.0 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.2 176.24 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -41.51 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.9 t 85.34 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.057 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.09 -47.01 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 161.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -145.31 165.55 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 174.4 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.82 125.82 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.51 ' HD1' ' HE2' ' A' ' 45' ' ' HIS . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.51 ' HE2' ' HD1' ' A' ' 31' ' ' PHE . 4.2 t60 -54.05 -54.97 31.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG12 ' CZ3' ' A' ' 50' ' ' TRP . 54.2 t -44.26 -56.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 97' ' ' ALA . 2.7 m-85 -62.77 -52.64 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.23 -53.63 20.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 10.1 m120 -75.01 87.88 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m0 169.27 152.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 37.65 87.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 75.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 172.48 176.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -39.5 121.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.07 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.38 115.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.19 157.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 m -171.83 33.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -137.67 136.32 20.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -40.76 -49.46 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 99' ' ' GLU . 20.0 pt -78.44 64.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.36 115.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -160.86 150.16 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.79 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -114.35 127.31 55.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 68' ' ' ILE . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ASN . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 17' ' ' ILE . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.471 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.79 ' SD ' HD11 ' A' ' 67' ' ' LEU . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -111.16 138.77 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.896 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -115.02 142.79 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.896 ' H ' HD22 ' A' ' 95' ' ' LEU . 30.6 m -150.01 167.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -130.45 107.83 9.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 177.67 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.567 ' HA ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -172.56 -55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -89.47 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.98 154.67 13.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.55 152.73 64.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 52.45 3.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.574 1.828 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -175.76 113.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 m -101.93 80.75 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.93 130.12 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.12 157.45 39.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -55.06 129.21 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.37 143.31 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.23 114.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.49 93.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.74 32.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -162.69 152.32 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 100.06 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -58.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.16 94.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.19 81.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -134.74 83.56 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -143.8 170.28 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.15 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.43 97.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p -145.18 93.4 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.22 -66.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.05 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' ASN . 58.0 t -45.84 140.17 4.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.651 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.677 ' HB2' HG21 ' A' ' 12' ' ' VAL . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.86 ' CZ ' HG21 ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -135.58 119.8 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -108.62 -95.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 m -118.54 172.94 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t 74.32 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.01 -41.2 1.08 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -45.23 121.84 3.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 8.9 t -100.11 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 115.36 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 131.07 35.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.603 ' CA ' HG22 ' A' ' 79' ' ' THR . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.595 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 56.6 t60 -44.01 -63.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 50' ' ' TRP . 92.1 t -44.46 -57.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 65' ' ' LEU . 1.3 t80 -53.79 -49.35 68.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -48.15 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.0 m120 -63.49 179.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.511 ' CH2' HG13 ' A' ' 46' ' ' VAL . 26.9 m0 61.82 95.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 68.72 5.73 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ttm -157.82 137.59 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.46 142.43 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.15 100.11 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.92 88.12 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 179.62 6.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.23 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.66 141.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 30.59 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -82.37 152.18 67.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -7.7 19.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -133.66 95.12 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 99' ' ' GLU . 1.1 pt -151.34 -46.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 47' ' ' TYR . 1.8 pt? -74.18 120.63 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.77 161.9 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -111.97 126.94 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD11 ' HE2' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.544 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 75' ' ' HIS . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 17' ' ' ILE . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.86 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.727 ' SD ' HD11 ' A' ' 67' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -106.01 156.98 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 96' ' ' VAL . 3.1 tt -129.07 149.9 50.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 95' ' ' LEU . 34.2 m -149.23 167.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ARG . . . -128.62 136.35 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 161.88 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.781 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.5 -13.38 61.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 56.86 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -100.66 154.63 37.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.98 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 153.39 83.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 50.54 2.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -142.69 122.24 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -166.47 100.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.47 130.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.05 168.69 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 137.84 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.24 148.84 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.07 148.31 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.18 86.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.73 10.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.9 p -179.49 159.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -177.93 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -175.16 100.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -156.71 157.45 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.98 150.89 8.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.128 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 50.06 86.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 p -160.0 126.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 103.45 2.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -42.79 117.51 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 0.725 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 152.01 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 135.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -156.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 13' ' ' PRO . 71.7 t -79.32 137.85 55.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' A' ' 80' ' ' LEU . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' HG21 ' A' ' 12' ' ' VAL . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' VAL . 3.8 mt -105.63 99.37 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD23 ' CH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -72.76 -64.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 27' ' ' LYS . 5.9 m -77.08 -172.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -89.05 40.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 177.05 -87.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.23 146.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 1.4 t -154.07 149.54 27.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -106.53 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -118.82 133.23 55.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.539 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 65' ' ' LEU . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 35.5 t-80 -46.99 -62.05 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.9 t -49.85 -67.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CZ ' ' CE3' ' A' ' 54' ' ' TRP . 0.4 OUTLIER -45.25 -37.27 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -45.12 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 3.7 m120 -68.03 87.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER 169.89 151.75 0.16 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.492 1.785 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.51 103.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -173.48 79.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' CE3' ' CZ ' ' A' ' 47' ' ' TYR . 10.2 m95 -153.0 166.68 31.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -112.43 69.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE2' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -99.59 176.06 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.13 -55.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.45 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG23 ' OE2' ' A' ' 56' ' ' GLU . 34.1 m -127.66 171.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -174.23 34.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -99.12 147.12 32.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -17.95 18.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -58.85 -31.31 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pt -107.7 56.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 43' ' ' ALA . 7.3 mt -153.61 93.27 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 142.64 36.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.795 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -110.17 128.09 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 83' ' ' LEU . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.539 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' A' ' 17' ' ' ILE . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 74' ' ' LEU . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.472 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.795 ' SD ' HD11 ' A' ' 67' ' ' LEU . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -102.95 163.6 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.4 OUTLIER -124.93 145.02 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.596 ' H ' HD23 ' A' ' 95' ' ' LEU . 22.7 m -147.7 173.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.73 118.92 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.84 165.6 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -137.26 -44.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.3 p -87.96 -169.55 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.89 156.79 90.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -134.03 156.83 78.85 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -139.64 164.82 28.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 m -139.85 125.08 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.99 87.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.56 86.27 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -109.88 123.04 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 126.39 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.6 t 177.67 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -41.92 114.06 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.7 m -50.96 168.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 t -126.01 -57.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 71.74 -59.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -101.68 158.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -158.42 14.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p 55.3 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 65.34 127.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.23 112.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt -112.18 134.65 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.35 110.93 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 121.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -85.07 175.97 8.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 18' ' ' ASN . 76.4 t -51.7 135.92 35.09 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 80' ' ' LEU . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.627 ' HB2' HG21 ' A' ' 12' ' ' VAL . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 33' ' ' PHE . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.83 HD11 HG13 ' A' ' 92' ' ' VAL . 4.9 mt -99.25 139.37 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.01 -82.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' VAL . 25.1 m -121.65 74.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.05 33.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.63 -127.32 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -40.3 135.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 ' HG1' ' H ' ' A' ' 29' ' ' LYS . 6.7 t -145.41 164.52 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' HG1' ' A' ' 28' ' ' THR . 6.0 tttt -135.28 128.29 31.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.48 131.79 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.499 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.613 ' CA ' HG22 ' A' ' 79' ' ' THR . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.96 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.581 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 32.4 t60 -40.0 -59.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 21' ' ' LEU . 72.8 t -46.07 -61.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -52.16 -51.51 57.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -45.82 60.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.9 m120 -62.77 -59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.484 ' CE3' HG12 ' A' ' 46' ' ' VAL . 1.1 m0 -54.31 117.48 13.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.02 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.69 5.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 tmm? 56.41 81.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -137.2 80.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -175.53 145.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.39 51.49 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.79 61.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -89.64 74.96 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.31 40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -127.18 158.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.11 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -140.22 142.07 28.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.67 14.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.07 -29.03 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 pt -111.59 65.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.34 126.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.41 138.12 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -99.55 122.52 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' ILE . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.613 HG22 ' CA ' ' A' ' 38' ' ' SER . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 17' ' ' ILE . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG13 HD11 ' A' ' 22' ' ' ILE . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -101.07 151.86 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -117.64 145.63 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.681 ' H ' HD23 ' A' ' 95' ' ' LEU . 30.4 m -156.56 158.15 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.9 107.38 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 6.7 tpt180 178.06 147.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 3.8 tt0 -63.35 -149.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.8 p -105.86 -178.48 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.83 158.05 38.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 79.39 2.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -135.09 160.18 69.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 81.25 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.32 172.84 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -174.39 120.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.69 134.08 33.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.84 147.55 17.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.93 115.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 60.6 113.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -170.18 112.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 167.96 12.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.61 33.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.59 170.05 16.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.38 170.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -145.08 157.21 44.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 118.14 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -160.64 152.19 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -110.76 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.76 179.03 36.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -132.56 -56.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -167.28 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 58.29 92.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 63.29 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t -62.3 136.45 95.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.722 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.722 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 2.8 mp -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -127.78 -84.13 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -124.65 170.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.86 -55.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.81 -42.09 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.96 130.05 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 4.5 t -105.62 157.49 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -121.47 131.97 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -90.82 123.93 34.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 46' ' ' VAL . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.674 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 79' ' ' THR . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.674 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -43.98 -53.33 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CZ2' ' A' ' 50' ' ' TRP . 50.8 t -55.53 -45.13 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' HD22 ' A' ' 65' ' ' LEU . 2.9 m-85 -65.47 -17.88 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.05 28.47 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.33 -47.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ2' HG13 ' A' ' 46' ' ' VAL . 7.2 m0 -89.11 157.83 47.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 ttm -42.84 -66.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 55.97 176.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.806 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 1.3 m-90 55.53 173.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 107.965 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.66 53.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 161.0 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.66 -54.16 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' VAL . 7.3 tt0 -177.62 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG23 ' H ' ' A' ' 60' ' ' SER . 5.8 m -39.79 -54.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER 43.64 31.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 m -71.52 146.45 91.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 65' ' ' LEU . 18.5 Cg_endo -74.94 -21.57 15.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -58.1 -37.47 74.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 pt -91.42 67.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD11 ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER 178.62 134.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -147.22 162.9 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.57 133.49 51.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HG23 ' A' ' 91' ' ' THR . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 68' ' ' ILE . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 38' ' ' SER . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.533 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.761 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.63 161.42 17.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.741 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -129.58 146.67 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.741 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.1 m -151.94 161.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.39 105.86 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.7 tpp180 -173.21 142.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 100' ' ' THR . 6.0 pt-20 -63.63 -148.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 74.0 p -119.37 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.19 154.41 8.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.62 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.8 153.63 52.14 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 50.58 2.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -80.04 110.88 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.76 142.77 48.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -54.23 156.32 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.05 103.85 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -177.31 58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 108.14 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.4 t -175.77 143.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.19 107.06 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -176.13 2.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.7 t -168.91 137.0 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 170.83 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 161.43 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -164.98 -58.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.74 -125.88 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.59 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.28 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 89.12 1.09 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtp -119.11 92.3 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.42 127.69 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 -69.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 141.97 47.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t -68.05 135.72 91.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.566 ' C ' HD22 ' A' ' 19' ' ' LEU . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.37 108.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.655 ' HG ' HG13 ' A' ' 24' ' ' VAL . 7.2 tp -99.67 -84.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' HG ' ' A' ' 23' ' ' LEU . 13.6 m -126.96 -178.34 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 t 70.27 -66.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.7 -52.28 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -40.39 125.75 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 10.1 t -95.22 162.32 13.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 114.95 19.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.56 133.2 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.848 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 79' ' ' THR . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.848 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -42.55 -51.53 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 21' ' ' LEU . 98.3 t -49.64 -58.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.43 -46.23 86.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.35 -49.07 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.56 170.76 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.465 ' CH2' HG13 ' A' ' 46' ' ' VAL . 13.2 m0 68.65 95.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.91 57.46 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.54 167.95 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.45 ' HH2' HD22 ' A' ' 95' ' ' LEU . 2.8 t-105 58.62 84.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -138.28 72.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -167.13 68.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.97 174.52 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -171.54 -39.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.9 m -44.47 145.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 24.78 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -73.25 153.32 90.37 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -6.94 18.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -133.17 95.4 3.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.416 HG23 ' HG3' ' A' ' 99' ' ' GLU . 1.0 OUTLIER -151.87 -46.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.46 92.68 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 125.84 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -97.03 142.44 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 83' ' ' LEU . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 38' ' ' SER . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' ILE . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 74' ' ' LEU . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.596 ' SD ' HD12 ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -103.59 164.93 11.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.4 tt -127.59 148.66 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.806 ' H ' HD23 ' A' ' 95' ' ' LEU . 35.6 m -150.69 159.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 105.86 8.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -157.21 152.84 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.623 ' C ' HG23 ' A' ' 100' ' ' THR . 2.7 tt0 -114.95 -12.06 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.623 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 57.24 161.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.53 153.57 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.78 2.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.68 153.02 42.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.25 3.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.38 92.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -174.42 87.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -166.42 141.69 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -158.24 69.99 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -170.77 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.02 88.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.08 124.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.44 111.98 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.07 35.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -116.6 160.96 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.97 170.25 17.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.05 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -173.16 168.68 4.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.073 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.76 69.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 120.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 0.808 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -164.32 161.67 21.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.22 168.31 22.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.83 93.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 -56.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.97 103.98 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.0 m80 -43.48 136.07 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 18' ' ' ASN . 55.3 t 61.33 143.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.985 ' HB2' HG21 ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 46' ' ' VAL . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -132.6 124.34 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD21 ' HZ3' ' A' ' 50' ' ' TRP . 3.5 mm? -111.39 -85.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.0 m -126.32 176.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t 69.03 -66.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.44 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -43.26 121.0 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 9.7 t -102.64 161.07 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -124.77 138.72 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.56 127.2 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.569 ' CB ' HG22 ' A' ' 79' ' ' THR . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -43.73 -53.57 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' ' CH2' ' A' ' 50' ' ' TRP . 33.1 t -58.85 -55.75 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -49.3 -48.81 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.67 -39.76 37.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.46 164.24 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.66 ' CH2' ' CG1' ' A' ' 46' ' ' VAL . 12.8 m0 75.42 95.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.72 -177.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.41 174.58 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -100.11 177.08 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 174.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.15 177.08 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 170.32 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -178.35 54.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.527 HG23 HD13 ' A' ' 64' ' ' ILE . 8.6 m -123.8 163.97 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -146.73 84.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.61 168.13 18.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -8.53 20.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.73 ' ND2' ' CZ ' ' A' ' 73' ' ' PHE . 24.6 m120 -76.27 -44.3 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.527 HD13 HG23 ' A' ' 59' ' ' VAL . 10.9 pt -69.9 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER 168.29 43.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -163.58 178.27 8.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.967 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.43 125.93 51.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 73' ' ' PHE . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.73 ' CZ ' ' ND2' ' A' ' 63' ' ' ASN . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 HD21 ' A' ' 67' ' ' LEU . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 79' ' ' THR . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 38' ' ' SER . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.967 ' SD ' HD11 ' A' ' 67' ' ' LEU . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -98.83 108.31 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.904 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -89.82 142.96 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.904 ' H ' HD22 ' A' ' 95' ' ' LEU . 15.9 m -155.82 139.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 98' ' ' ARG . . . -129.77 104.18 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' ALA . 2.3 mtt-85 51.73 175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' CD ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -107.72 -18.84 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 99' ' ' GLU . 11.6 p -122.56 131.82 54.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 101' ' ' LEU . 3.3 pp -41.18 156.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.01 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.8 157.03 0.49 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.56 1.821 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -139.25 97.17 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -99.49 125.23 45.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -155.74 -58.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.7 -178.69 18.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.3 115.91 30.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.29 143.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.76 -176.6 42.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.91 11.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.3 m -136.03 96.29 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -68.68 -58.46 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.09 80.29 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -172.86 161.44 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 149.9 5.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.12 142.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -176.87 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 150.84 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.13 101.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m 62.34 83.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.4 110.28 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -169.06 165.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 18' ' ' ASN . 84.2 t -86.1 136.39 36.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 28' ' ' THR . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt -89.25 127.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD11 ' CH2' ' A' ' 50' ' ' TRP . 4.1 mt -114.61 170.67 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -44.46 161.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.5 t 81.6 -55.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.65 -43.14 0.94 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.7 137.21 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 HG21 ' HD3' ' A' ' 20' ' ' ARG . 5.3 t -131.11 160.14 35.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.25 173.02 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -124.35 126.61 46.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.518 ' HD2' HD23 ' A' ' 21' ' ' LEU . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.84 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.84 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 12.0 t-80 -44.82 -60.68 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' CZ3' ' A' ' 50' ' ' TRP . 59.3 t -43.04 -64.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -58.54 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.47 -57.4 4.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 9.4 m-80 -79.63 85.66 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.785 ' CH2' HD11 ' A' ' 23' ' ' LEU . 4.4 m0 178.63 120.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.03 32.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.5 ttt 71.76 -58.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 62.02 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.91 145.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 107.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.96 152.91 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.85 172.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.19 173.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 178.16 46.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.5 157.75 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 31.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -56.7 148.53 46.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -76.68 -39.79 50.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.618 HG22 ' HB2' ' A' ' 99' ' ' GLU . 1.2 pt -103.99 65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 176.39 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -152.29 133.44 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER -94.69 125.28 39.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.52 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' ILE . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 69' ' ' TYR . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.509 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD13 ' HB ' ' A' ' 17' ' ' ILE . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 67' ' ' LEU . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 -108.75 143.64 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.895 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.57 142.74 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.895 ' H ' HD22 ' A' ' 95' ' ' LEU . 33.6 m -156.31 168.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.27 105.45 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -167.41 154.29 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 64' ' ' ILE . 4.0 tt0 -86.1 -12.08 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.609 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 56.68 161.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.6 pp -84.81 154.19 61.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.44 13.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.93 157.71 7.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.6 5.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.97 174.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 92.37 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -115.71 165.86 12.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -130.78 -125.32 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.13 153.66 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.52 139.92 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -56.59 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.85 141.58 10.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m 66.76 111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -180.0 127.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -167.41 79.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m 62.76 162.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.48 67.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.63 88.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -158.19 148.68 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 65.73 0.7 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -131.86 111.53 11.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -158.5 85.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.48 128.41 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 60.29 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 13' ' ' PRO . 48.7 t -104.35 141.02 21.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.805 HG22 ' CD2' ' A' ' 19' ' ' LEU . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 19' ' ' LEU . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.805 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 46' ' ' VAL . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 92' ' ' VAL . 13.9 mt -109.4 114.38 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tp -106.7 -179.94 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.4 170.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -58.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.68 -46.51 0.86 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 120.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 ' CB ' HG12 ' A' ' 22' ' ' ILE . 8.9 t -115.3 160.65 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.52 136.31 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 135.93 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.452 ' HD2' HD23 ' A' ' 21' ' ' LEU . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 HG13 ' A' ' 12' ' ' VAL . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.502 ' CA ' HG22 ' A' ' 79' ' ' THR . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 65.9 t60 -40.09 -66.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 21' ' ' LEU . 81.8 t -49.19 -65.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -42.29 -37.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.81 -46.27 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.2 m120 -68.76 90.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 167.37 93.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.03 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.2 ttt -145.01 133.09 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLU . 6.1 m-20 -41.61 -50.14 4.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 71.34 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.1 tt0 78.08 -174.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.28 104.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.03 159.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -170.04 54.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.27 175.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -130.94 29.43 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 149.0 98.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.57 21.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.08 -47.85 69.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 99' ' ' GLU . 1.4 pt -92.37 54.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.47 82.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.09 121.23 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.99 130.25 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HE1' HG23 ' A' ' 91' ' ' THR . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 93' ' ' MET . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.502 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.502 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 69' ' ' TYR . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 22' ' ' ILE . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 19' ' ' LEU . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.81 162.06 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.7 tt -127.92 147.43 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.777 ' H ' HD23 ' A' ' 95' ' ' LEU . 29.8 m -157.09 155.92 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 107.04 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -178.31 149.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 5.4 pt-20 -130.0 121.87 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -141.46 173.51 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.29 156.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.15 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.44 153.89 44.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.6 148.28 51.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.3 t -121.1 80.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.47 150.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.85 -165.24 10.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -101.77 143.56 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.29 143.64 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t 67.68 170.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.74 103.79 2.13 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -155.43 164.77 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -91.95 -57.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -168.5 142.02 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.38 160.06 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.43 127.95 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.91 96.71 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m 57.97 169.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.09 -123.2 7.61 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.56 111.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 0.717 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -152.95 134.36 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 104.16 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.07 168.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 18' ' ' ASN . 91.9 t -80.76 136.09 51.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.562 ' O ' HD22 ' A' ' 19' ' ' LEU . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt -114.27 149.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 27' ' ' LYS . 7.2 m -61.21 -150.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -90.44 37.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.45 -56.55 0.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.574 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -40.66 155.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.435 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -146.16 154.64 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -108.03 123.58 48.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -80.51 124.09 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -40.62 -47.12 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG13 ' CZ3' ' A' ' 50' ' ' TRP . 84.4 t -57.06 -58.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.56 -45.93 80.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.38 -61.06 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -92.61 106.1 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.76 ' CZ3' HG13 ' A' ' 46' ' ' VAL . 3.0 t90 65.1 87.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.813 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.82 88.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.94 167.47 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -106.98 -59.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.06 176.14 7.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.41 141.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.72 109.91 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -169.71 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.24 154.4 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -171.06 32.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -131.36 145.68 58.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -21.51 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -61.56 -24.98 67.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 99' ' ' GLU . 1.2 pt -120.81 63.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -179.83 135.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.62 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.5 mtm180 -156.12 153.69 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -104.47 132.45 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 96' ' ' VAL . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 68' ' ' ILE . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.504 HD13 HD11 ' A' ' 83' ' ' LEU . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 22' ' ' ILE . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -101.27 153.7 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.792 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -112.4 149.2 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.792 ' H ' HD23 ' A' ' 95' ' ' LEU . 27.6 m -156.35 162.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.48 119.66 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 171.51 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -144.11 -97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.445 ' HG1' ' C ' ' A' ' 99' ' ' GLU . 8.6 p 45.55 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.3 mt -83.48 154.44 65.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.95 28.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.88 152.87 38.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 52.84 3.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 55.46 179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.18 97.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -94.85 161.04 14.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -135.93 131.23 5.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 156.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 161.08 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 p -144.78 165.44 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.21 157.35 51.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.12 23.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -146.13 148.06 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.6 p -169.15 160.04 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t 179.16 94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -163.92 156.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 92.2 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -134.42 118.85 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -152.3 131.89 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 -177.96 36.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttp -171.68 132.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 104.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 99.38 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.8 166.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.613 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t -87.97 136.57 32.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.541 ' HB ' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.496 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt -101.01 146.48 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.42 -77.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' VAL . 22.2 m -122.23 74.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.75 34.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.41 -115.54 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -40.26 132.17 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -153.4 165.01 37.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -139.87 142.97 36.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.32 126.99 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 21' ' ' LEU . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.918 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -48.21 -54.03 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.583 HG13 ' CH2' ' A' ' 50' ' ' TRP . 63.4 t -47.92 -51.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.07 -52.13 66.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.09 -49.62 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.53 164.59 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.583 ' CH2' HG13 ' A' ' 46' ' ' VAL . 6.7 m0 70.88 118.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -56.63 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.05 166.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.662 ' HH2' HD22 ' A' ' 95' ' ' LEU . 6.5 p-90 -109.69 121.65 45.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 62.15 119.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -172.42 115.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -61.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 177.17 45.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 64' ' ' ILE . 34.2 m -131.63 160.91 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.02 32.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.72 148.18 50.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -9.52 20.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -77.75 -25.5 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 59' ' ' VAL . 3.5 pt -109.58 30.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD13 ' HB1' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -154.34 136.22 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.0 146.92 27.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -112.66 128.89 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 67' ' ' LEU . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.542 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD13 ' HB ' ' A' ' 17' ' ' ILE . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 67' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.24 152.55 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 96' ' ' VAL . 2.2 tt -114.1 149.43 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.771 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.0 m -147.28 158.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.5 113.3 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.82 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.602 ' C ' HG23 ' A' ' 100' ' ' THR . 4.0 tt0 -86.98 -13.39 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.602 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 56.59 162.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.6 mt -48.62 154.5 1.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.8 172.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 66.45 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -74.7 143.7 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 m 57.75 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 66.06 108.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.17 85.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -156.65 166.05 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.767 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -174.99 144.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -136.31 166.95 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.78 -141.6 14.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.57 16.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 m -105.41 102.02 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.58 148.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.098 . . . . 0.0 110.993 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.63 95.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.0 168.98 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 88.54 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -91.81 82.64 5.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.55 169.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 65.3 1.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttp -154.88 106.91 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.86 122.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 -70.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.71 160.77 18.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 ' CG ' ' A' ' 18' ' ' ASN . 74.6 t -60.34 135.65 91.41 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.655 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.644 ' CG ' HG21 ' A' ' 12' ' ' VAL . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD3' HG21 ' A' ' 28' ' ' THR . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 95' ' ' LEU . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 HG13 ' A' ' 92' ' ' VAL . 24.2 mt -91.91 139.9 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD1' HG13 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -174.39 -146.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 25' ' ' SER . 14.3 m 37.21 -143.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.588 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -84.97 46.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 96.07 -50.96 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -37.83 129.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 20' ' ' ARG . 9.0 t -121.26 164.59 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 174.39 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.46 124.45 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' THR . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -39.75 -55.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 69.1 t -44.04 -51.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.5 -54.46 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.3 -37.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -74.56 -80.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.673 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 29.8 m0 -44.97 105.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.28 6.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.84 176.29 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.21 146.4 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' HZ2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -48.61 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.983 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -126.67 175.8 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.67 110.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.41 -179.63 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -176.69 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 60' ' ' SER . 5.8 m -39.85 -59.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.606 ' H ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER 39.36 82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -131.63 150.42 76.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.0 17.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -71.09 -17.91 62.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.75 45.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -148.29 102.54 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -109.95 128.91 55.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -103.82 123.77 47.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD12 HD21 ' A' ' 67' ' ' LEU . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASN . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 17' ' ' ILE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.561 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 22' ' ' ILE . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' HD12 ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -105.82 149.97 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -115.4 144.8 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.63 ' H ' HD23 ' A' ' 95' ' ' LEU . 34.2 m -155.91 169.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.75 43.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 169.08 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -138.2 -74.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 p -76.35 -161.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.57 154.72 78.83 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.96 34.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.06 158.11 10.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -29.33 8.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.07 105.95 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -178.49 103.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -160.42 158.73 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 178.6 83.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -147.21 159.53 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.74 162.84 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.1 t -107.54 -60.05 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.89 97.83 2.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.97 17.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -112.97 164.84 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.9 m -107.22 128.95 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.63 81.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.07 159.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 72.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.078 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -122.91 100.63 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.053 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -89.88 112.29 23.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 130.47 3.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -53.67 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.4 100.1 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 t -99.08 89.93 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.92 163.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.9 t -62.01 137.42 95.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.723 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.656 ' CG ' HG21 ' A' ' 12' ' ' VAL . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.939 HD12 ' CE1' ' A' ' 94' ' ' HIS . 23.7 mt -93.23 145.7 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' CD2' ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER -92.04 -74.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.6 m -127.46 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.46 37.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.21 -120.36 0.75 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.56 136.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -149.08 160.35 43.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 135.6 50.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -83.94 131.25 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 21' ' ' LEU . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 HG13 ' A' ' 12' ' ' VAL . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.803 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.26 -67.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 21' ' ' LEU . 47.3 t -40.69 -62.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -49.82 -51.43 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.35 -57.02 12.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 38.5 m-80 -93.06 95.39 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 173.76 137.89 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.0 -53.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.1 mmt -121.76 125.75 47.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.595 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 21.3 m-20 -102.41 -63.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -160.04 147.71 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.34 46.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.15 71.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.26 170.88 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -173.59 38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.31 178.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.21 31.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -113.1 132.59 22.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.627 ' O ' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 -6.37 17.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -71.71 -23.9 61.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.25 67.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -130.16 161.02 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.79 ' N ' HD22 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -163.49 133.45 4.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -119.92 129.83 54.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 67' ' ' LEU . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 17' ' ' ILE . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 67' ' ' LEU . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.939 ' CE1' HD12 ' A' ' 22' ' ' ILE . 25.3 m80 -106.92 157.12 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -108.74 146.64 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.689 ' H ' HD23 ' A' ' 95' ' ' LEU . 8.8 m -151.94 176.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.19 116.34 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -179.14 156.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.11 -72.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 8.8 t -174.25 -149.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.4 OUTLIER -77.95 157.35 79.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.9 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.71 155.86 38.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -32.52 5.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t30 64.91 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 t -173.83 114.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.09 120.63 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.2 110.88 0.42 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.99 139.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -158.56 147.97 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -171.36 154.29 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -164.11 150.17 18.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 p -142.22 162.98 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.0 m -81.64 163.55 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -162.08 87.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -171.88 -58.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -161.06 25.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.92 88.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 63.02 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -174.23 38.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -113.45 -56.6 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.32 157.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.59 121.19 22.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -154.95 149.76 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.543 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' A' ' 88' ' ' GLY . 98.7 t -83.88 135.3 42.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 92' ' ' VAL . 32.9 mt -96.61 141.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.17 -67.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.8 m -133.8 75.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 m 39.06 40.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -156.7 -121.94 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mttp -40.31 128.67 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 21' ' ' LEU . 8.5 t -144.02 162.62 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 133.79 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -80.84 124.8 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 79' ' ' THR . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.629 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 65' ' ' LEU . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 -40.34 -61.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -40.68 -63.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -54.5 -54.03 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -48.45 -53.92 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.587 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 27.2 m-80 -98.52 93.16 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 176.96 162.04 0.5 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.02 41.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 106.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.72 132.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CD1' ' N ' ' A' ' 55' ' ' GLU . 15.7 t-105 -173.4 163.99 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 3.0 tt0 -103.84 77.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.7 mp0 -56.03 -64.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.2 tt0 80.99 -64.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.72 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 56' ' ' GLU . 26.8 m -140.65 151.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -153.23 32.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -107.83 151.04 41.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.27 16.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.82 93.96 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.424 HD13 ' HB ' ' A' ' 59' ' ' VAL . 1.4 pt -147.01 -46.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.66 165.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.86 144.44 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.91 128.34 54.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 72' ' ' ARG . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 68' ' ' ILE . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 HD21 ' A' ' 67' ' ' LEU . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 79' ' ' THR . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 38' ' ' SER . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.427 HG21 ' HE3' ' A' ' 93' ' ' MET . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 67' ' ' LEU . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' CE1' HD12 ' A' ' 22' ' ' ILE . 24.7 m80 -106.17 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.5 tt -118.13 148.24 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.787 ' H ' HD23 ' A' ' 95' ' ' LEU . 19.6 m -150.5 173.53 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.08 104.35 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -179.42 114.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 9.9 t -172.34 -148.36 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.7 OUTLIER -75.31 152.24 85.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.1 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -140.87 159.46 62.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.21 5.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -49.34 133.06 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -64.35 138.53 58.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -110.63 117.6 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.22 92.62 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.64 153.29 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p 61.0 104.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 160.24 76.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t 51.03 83.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -105.3 -58.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -58.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 66.54 116.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.93 68.04 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 133.18 35.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 100.2 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.77 73.37 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.77 163.46 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 171.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 87.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -92.1 173.85 7.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 13' ' ' PRO . 61.4 t -42.43 138.05 2.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.578 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.457 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt -116.67 155.74 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG23 ' N ' ' A' ' 25' ' ' SER . 3.1 m -60.6 -152.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -89.57 37.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 123.1 -56.13 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -40.24 151.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -144.49 163.53 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.66 127.85 52.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -80.64 126.08 30.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -39.84 -65.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.605 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 94.6 t -40.23 -63.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.88 -51.42 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -51.88 -55.03 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 24.6 m-80 -97.29 95.21 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.605 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 1.6 m0 170.46 120.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.19 2.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.809 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.28 83.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.65 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -83.11 101.01 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.37 132.79 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.09 -70.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' OE1' ' NH1' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -127.4 -43.17 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -171.46 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.68 155.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -155.56 24.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -89.25 143.94 31.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.02 -17.94 19.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 65' ' ' LEU . 68.3 m-80 -67.96 -71.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ASN . 1.1 pt -40.01 -31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 63' ' ' ASN . 0.3 OUTLIER -63.79 99.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.1 141.52 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -95.03 130.91 41.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 93' ' ' MET . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 38' ' ' SER . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 17' ' ' ILE . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG13 HD11 ' A' ' 22' ' ' ILE . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 67' ' ' LEU . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' NE2' HD13 ' A' ' 22' ' ' ILE . 13.4 m170 -109.62 164.81 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -135.11 142.58 46.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.67 HG22 ' CD1' ' A' ' 68' ' ' ILE . 34.5 m -150.33 165.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.97 120.62 25.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 2.6 tpt180 -177.81 146.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' C ' HG23 ' A' ' 100' ' ' THR . 2.6 tt0 -88.51 -108.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.531 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER 54.95 166.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.08 154.09 71.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.52 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -128.06 159.01 69.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.56 10.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -127.74 160.52 31.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.1 t -167.83 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -122.2 145.26 48.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.68 112.76 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -161.55 136.85 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.63 133.13 44.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.03 147.65 42.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.14 122.27 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p -157.23 166.16 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.6 143.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 13' ' ' PRO . 85.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD2' HD11 ' A' ' 22' ' ' ILE . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 20' ' ' ARG . 33.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 83' ' ' LEU . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.493 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 17' ' ' ILE . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 32' ' ' LEU . 79.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 19' ' ' LEU . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.602 ' O ' HD22 ' A' ' 19' ' ' LEU . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.661 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.488 HD12 ' CE1' ' A' ' 94' ' ' HIS . 17.9 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 79' ' ' THR . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.849 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.538 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' ILE . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 93' ' ' MET . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 38' ' ' SER . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 17' ' ' ILE . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 22' ' ' ILE . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.661 ' SD ' HD12 ' A' ' 19' ' ' LEU . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HD12 ' A' ' 22' ' ' ILE . 34.8 m80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 18' ' ' ASN . 65.3 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.707 HG22 ' CD2' ' A' ' 19' ' ' LEU . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.513 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.707 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 21' ' ' LEU . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' THR . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.792 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.787 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 38' ' ' SER . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 17' ' ' ILE . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.787 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG13 ' HD2' ' A' ' 13' ' ' PRO . 87.9 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.6 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 18' ' ' ASN . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.577 ' CA ' HG22 ' A' ' 79' ' ' THR . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.703 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.667 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 67' ' ' LEU . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CA ' ' A' ' 38' ' ' SER . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' ILE . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.416 HG21 ' CE ' ' A' ' 93' ' ' MET . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' HD11 ' A' ' 67' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m170 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.5 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 79' ' ' THR . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 91' ' ' THR . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 38' ' ' SER . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.757 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' HA2' ' A' ' 88' ' ' GLY . 96.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 94' ' ' HIS . 5.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.51 ' HD1' ' HE2' ' A' ' 45' ' ' HIS . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.51 ' HE2' ' HD1' ' A' ' 31' ' ' PHE . 4.2 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.79 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 68' ' ' ILE . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ASN . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 17' ' ' ILE . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.471 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.79 ' SD ' HD11 ' A' ' 67' ' ' LEU . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CE1' HD13 ' A' ' 22' ' ' ILE . 13.2 m80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' ASN . 58.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.651 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.677 ' HB2' HG21 ' A' ' 12' ' ' VAL . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.86 ' CZ ' HG21 ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.603 ' CA ' HG22 ' A' ' 79' ' ' THR . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.595 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' NE2' ' CD1' ' A' ' 31' ' ' PHE . 56.6 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD11 ' HE2' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.544 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 75' ' ' HIS . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 17' ' ' ILE . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.86 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.727 ' SD ' HD11 ' A' ' 67' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 13' ' ' PRO . 71.7 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' A' ' 80' ' ' LEU . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' HG21 ' A' ' 12' ' ' VAL . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.539 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.8 t60 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.795 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 83' ' ' LEU . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.539 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' A' ' 17' ' ' ILE . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 74' ' ' LEU . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.472 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.795 ' SD ' HD11 ' A' ' 67' ' ' LEU . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 18' ' ' ASN . 76.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 80' ' ' LEU . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.627 ' HB2' HG21 ' A' ' 12' ' ' VAL . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 33' ' ' PHE . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.83 HD11 HG13 ' A' ' 92' ' ' VAL . 4.9 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.499 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.613 ' CA ' HG22 ' A' ' 79' ' ' THR . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.96 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 32.4 t60 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' ILE . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.54 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.613 HG22 ' CA ' ' A' ' 38' ' ' SER . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 17' ' ' ILE . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG13 HD11 ' A' ' 22' ' ' ILE . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.722 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.2 t30 -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.722 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.674 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 79' ' ' THR . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.674 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.3 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HG23 ' A' ' 91' ' ' THR . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 68' ' ' ILE . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 38' ' ' SER . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.533 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.761 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.566 ' C ' HD22 ' A' ' 19' ' ' LEU . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.848 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 79' ' ' THR . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.848 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 83' ' ' LEU . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 38' ' ' SER . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' ILE . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 74' ' ' LEU . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.596 ' SD ' HD12 ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 18' ' ' ASN . 55.3 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.985 ' HB2' HG21 ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 90' ' ' THR . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.569 ' CB ' HG22 ' A' ' 79' ' ' THR . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.2 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.967 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 73' ' ' PHE . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 68' ' ' ILE . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 HD21 ' A' ' 67' ' ' LEU . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 79' ' ' THR . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 38' ' ' SER . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.967 ' SD ' HD11 ' A' ' 67' ' ' LEU . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 18' ' ' ASN . 84.2 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.518 ' HD2' HD23 ' A' ' 21' ' ' LEU . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.84 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.84 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 7.6 t60 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.52 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' ILE . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 69' ' ' TYR . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.509 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD13 ' HB ' ' A' ' 17' ' ' ILE . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 67' ' ' LEU . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 13' ' ' PRO . 48.7 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.805 HG22 ' CD2' ' A' ' 19' ' ' LEU . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 19' ' ' LEU . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.805 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 92' ' ' VAL . 13.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.452 ' HD2' HD23 ' A' ' 21' ' ' LEU . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 HG13 ' A' ' 12' ' ' VAL . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.502 ' CA ' HG22 ' A' ' 79' ' ' THR . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LYS . 65.9 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HE1' HG23 ' A' ' 91' ' ' THR . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 93' ' ' MET . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.502 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.502 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 69' ' ' TYR . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 22' ' ' ILE . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 19' ' ' LEU . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 m170 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 18' ' ' ASN . 91.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.562 ' O ' HD22 ' A' ' 19' ' ' LEU . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 68' ' ' ILE . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.504 HD13 HD11 ' A' ' 83' ' ' LEU . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 22' ' ' ILE . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.541 ' HB ' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.496 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 21' ' ' LEU . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.918 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 67' ' ' LEU . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.542 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD13 ' HB ' ' A' ' 17' ' ' ILE . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 67' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 ' CG ' ' A' ' 18' ' ' ASN . 74.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.655 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.644 ' CG ' HG21 ' A' ' 12' ' ' VAL . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 HG13 ' A' ' 92' ' ' VAL . 24.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' THR . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 t60 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD12 HD21 ' A' ' 67' ' ' LEU . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.477 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASN . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 17' ' ' ILE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.561 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 22' ' ' ILE . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' HD12 ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.723 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.656 ' CG ' HG21 ' A' ' 12' ' ' VAL . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.939 HD12 ' CE1' ' A' ' 94' ' ' HIS . 23.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 21' ' ' LEU . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 HG13 ' A' ' 12' ' ' VAL . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 67' ' ' LEU . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 17' ' ' ILE . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 67' ' ' LEU . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.939 ' CE1' HD12 ' A' ' 22' ' ' ILE . 25.3 m80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' A' ' 88' ' ' GLY . 98.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 92' ' ' VAL . 32.9 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 79' ' ' THR . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.629 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 72' ' ' ARG . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 68' ' ' ILE . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 HD21 ' A' ' 67' ' ' LEU . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 79' ' ' THR . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 38' ' ' SER . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.502 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.427 HG21 ' HE3' ' A' ' 93' ' ' MET . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 67' ' ' LEU . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.436 ' CE1' HD12 ' A' ' 22' ' ' ILE . 24.7 m80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 13' ' ' PRO . 61.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.578 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.457 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 93' ' ' MET . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 38' ' ' SER . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 17' ' ' ILE . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG13 HD11 ' A' ' 22' ' ' ILE . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 67' ' ' LEU . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.407 ' NE2' HD13 ' A' ' 22' ' ' ILE . 13.4 m170 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -161.61 159.71 27.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -158.06 146.36 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.99 157.65 27.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.74 99.08 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -138.62 122.76 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.79 122.55 0.93 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -163.68 128.16 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.27 123.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.33 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -154.54 135.61 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 13' ' ' PRO . 85.4 t -75.89 136.98 69.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 87' ' ' PHE . . . -103.63 5.27 36.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.7 -22.15 13.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mtp -108.76 161.71 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -118.72 117.68 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -77.1 126.6 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -119.58 141.1 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD2' HD11 ' A' ' 22' ' ' ILE . 19.6 ttm180 -106.03 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -89.01 118.56 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 20' ' ' ARG . 33.6 mt -114.24 154.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -161.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.17 139.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t 74.59 -63.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . -171.38 -128.4 1.03 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLY . 40.9 mttt 56.34 109.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 14.1 t -143.55 164.33 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 144.47 24.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.68 135.33 36.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.28 -179.16 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.55 143.67 45.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.6 m-85 -151.21 160.28 43.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 160.49 26.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.9 -6.73 18.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -99.17 -8.39 25.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -85.7 145.32 27.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -106.35 162.83 13.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.04 -34.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -56.13 -60.06 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.92 -45.36 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.7 mt -63.03 -70.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.928 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -42.47 -44.04 3.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -61.52 -56.78 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 36.0 t60 -44.74 -52.99 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.583 HG13 ' CH2' ' A' ' 50' ' ' TRP . 88.1 t -50.79 -53.97 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -54.68 -50.61 67.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 2.7 m120 -69.03 165.02 21.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.583 ' CH2' HG13 ' A' ' 46' ' ' VAL . 3.5 m0 62.83 152.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -179.27 113.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.62 48.84 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -172.49 117.75 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.46 -58.54 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 140.83 51.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -174.04 77.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.88 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 64' ' ' ILE . 15.9 m -139.29 -179.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.84 83.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 28.0 m -160.86 141.17 8.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.98 -18.71 18.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -69.11 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 99' ' ' GLU . 29.4 pt -50.99 -46.06 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.928 HD21 ' HB1' ' A' ' 43' ' ' ALA . 1.1 tp -97.7 87.96 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 143.34 32.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -100.69 132.36 46.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -104.74 139.87 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -138.07 121.65 17.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 61.4 15.97 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.33 -34.05 5.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -79.83 177.28 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CD2' HG13 ' A' ' 68' ' ' ILE . 36.7 m-85 -116.73 135.13 54.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 83' ' ' LEU . 77.1 mt -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.493 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.96 160.41 32.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.18 68.96 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -87.43 -18.37 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.0 t -58.63 149.2 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ALA . 41.1 p -139.31 139.13 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 17' ' ' ILE . 51.5 mt -40.4 -35.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.11 87.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.49 -21.86 64.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.2 mt -83.58 0.49 46.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.0 45.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.33 149.63 94.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.23 17.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 14' ' ' ALA . 20.0 m-85 -73.66 168.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.29 46.5 21.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.8 mmtt -139.02 178.26 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.0 m -128.07 123.18 33.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 m -106.86 149.18 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.4 t -107.82 125.57 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 33.5 mtt -144.39 150.47 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -110.26 153.92 24.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.561 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 65' ' ' LEU . 3.9 tt -126.12 148.92 49.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.848 ' N ' HD23 ' A' ' 95' ' ' LEU . 32.0 m -154.61 165.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 108.03 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -178.32 121.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.475 ' HB2' HG22 ' A' ' 64' ' ' ILE . 9.0 tt0 -63.66 -12.77 36.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.8 p -123.08 -168.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 158.33 87.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.77 156.74 61.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.49 116.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.07 146.47 39.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -67.25 156.39 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 58.21 70.5 0.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -151.3 111.31 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 143.4 31.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 p -110.24 156.46 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.6 99.29 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.86 27.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 84.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -177.14 161.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.71 -58.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.08 160.56 30.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.57 -148.56 18.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -173.93 165.75 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 132.79 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 118.2 1.99 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -166.42 154.51 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -100.85 162.51 12.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 32' ' ' LEU . 79.2 t -59.12 137.25 88.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.94 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.86 5.0 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.17 -23.01 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mtp -111.87 160.29 17.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' CD2' ' A' ' 19' ' ' LEU . 4.1 mt -116.35 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.602 ' O ' HD22 ' A' ' 19' ' ' LEU . 13.6 t30 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.3 mm? -118.77 133.13 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -97.61 107.79 20.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD1' HG21 ' A' ' 46' ' ' VAL . 1.3 mm? -89.49 114.26 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.488 HD12 ' CE1' ' A' ' 94' ' ' HIS . 17.9 mt -104.05 124.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -84.06 152.32 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -26.89 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 t -66.99 -41.66 86.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.14 -64.3 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.84 135.62 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HG1' ' H ' ' A' ' 29' ' ' LYS . 7.0 t -121.22 162.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -138.18 132.18 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.9 130.66 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -122.84 179.31 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -132.84 136.85 46.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.1 m-85 -139.34 175.57 9.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.2 160.85 29.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -6.9 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -99.32 -24.68 14.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.8 148.09 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 79' ' ' THR . 90.2 p -101.81 169.5 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -59.96 -44.67 94.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -52.6 -36.77 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -43.8 72.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.849 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 68.7 mt -56.96 -65.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -43.46 -53.67 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -61.49 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -40.27 -56.22 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.552 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG13 ' CH2' ' A' ' 50' ' ' TRP . 64.6 t -47.54 -59.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.31 -47.97 77.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -38.82 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -78.05 166.17 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HG13 ' A' ' 46' ' ' VAL . 12.0 m0 70.6 150.56 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 154.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.517 1.798 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.48 93.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -148.06 -48.06 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.17 122.63 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.47 164.62 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.31 -59.02 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.47 -65.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -174.87 43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.8 144.36 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -147.3 29.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -77.38 148.52 77.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 -27.6 9.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 64' ' ' ILE . 29.2 m-80 -63.37 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.706 HG22 ' HA ' ' A' ' 99' ' ' GLU . 43.5 pt -37.53 -43.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.06 HD13 HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -86.03 152.59 22.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.682 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -146.63 160.86 41.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 96' ' ' VAL . 3.8 mp -105.29 147.25 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -148.8 122.67 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 63.86 13.72 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.56 -40.26 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' ILE . 3.9 ptm180 -79.16 178.21 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CD2' HG13 ' A' ' 68' ' ' ILE . 50.6 m-85 -111.41 148.96 31.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 93' ' ' MET . 60.5 mt -104.68 150.79 24.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -74.12 161.05 30.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.08 -30.23 55.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.534 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t-20 -79.07 -25.78 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.0 t -51.86 145.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 38' ' ' SER . 32.0 p -136.6 137.26 39.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 17' ' ' ILE . 76.4 mt -39.74 -30.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -57.86 -53.19 47.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.54 -27.48 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.6 mt -77.39 -3.91 42.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.66 44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -67.33 151.09 97.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.5 15.56 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.7 m-85 -74.41 169.47 17.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 48.72 31.92 10.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -124.44 179.0 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.8 m -129.28 122.94 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -105.41 150.96 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 22' ' ' ILE . 76.1 t -109.17 128.73 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.661 ' SD ' HD12 ' A' ' 19' ' ' LEU . 54.3 mtt -148.01 146.62 28.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HD12 ' A' ' 22' ' ' ILE . 34.8 m80 -107.86 154.21 21.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.06 HD21 HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -120.03 147.59 44.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.78 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.8 m -150.56 158.59 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.56 139.79 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.17 137.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 64' ' ' ILE . 4.7 tt0 -79.65 -10.79 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 48.8 p -115.86 -178.6 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.411 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 157.09 87.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.13 5.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -125.18 156.92 68.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -33.8 4.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.91 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -129.02 136.87 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.76 -59.0 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.51 68.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 60.48 77.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 110.258 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.77 116.12 22.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.22 170.82 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.61 -152.49 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.9 87.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.74 37.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 55.69 72.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -170.22 164.57 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.46 100.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.85 95.41 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.04 122.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.23 74.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.25 155.35 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p 179.91 89.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 m -174.81 -63.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 127.85 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.592 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 18' ' ' ASN . 65.3 t -93.76 136.13 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.46 4.82 39.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -105.7 -23.15 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mtp -105.51 166.19 10.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.707 HG22 ' CD2' ' A' ' 19' ' ' LEU . 9.0 mt -123.09 116.56 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.1 t30 -76.43 127.48 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.707 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.4 mm? -116.66 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -103.07 107.84 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 46' ' ' VAL . 1.8 mm? -90.73 109.35 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 28' ' ' THR . 61.2 mt -108.03 124.23 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD11 ' CH2' ' A' ' 50' ' ' TRP . 7.1 mt -93.87 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 m -50.06 -27.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -45.57 92.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 134.74 -61.36 0.64 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' GLY . 21.0 mtpt -39.97 146.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.408 ' CB ' HG12 ' A' ' 22' ' ' ILE . 3.9 t -132.13 166.22 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -142.19 174.52 10.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -118.81 125.47 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CD1' HD23 ' A' ' 21' ' ' LEU . 52.2 m-85 -118.55 168.97 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.83 135.6 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 55.0 m-85 -143.71 168.36 20.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.37 161.01 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.94 -8.31 20.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -100.09 -9.88 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -77.22 144.67 38.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' THR . 92.7 p -99.5 162.54 12.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -49.01 -55.74 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.7 -53.46 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -49.25 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.792 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 96.1 mt -58.51 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -40.15 -55.04 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -41.97 -64.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD12 ' A' ' 95' ' ' LEU . 85.8 t -43.08 -68.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -46.5 -53.52 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.1 -45.08 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' TRP . 15.4 m-80 -87.09 93.54 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER 162.01 162.73 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.552 1.817 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.23 127.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.6 81.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 97' ' ' ALA . 72.3 m95 -126.56 -81.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -179.67 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.01 69.86 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.93 146.91 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -155.58 38.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.02 -51.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.64 30.43 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.79 152.76 85.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.39 20.37 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -71.39 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.642 HG21 ' C ' ' A' ' 99' ' ' GLU . 3.0 pt -51.11 -34.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 43' ' ' ALA . 9.0 tp -107.05 92.28 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.2 147.75 43.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.787 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER -101.18 126.75 47.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.5 mp -95.64 136.65 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.3 t80 -134.49 118.77 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.55 30.23 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.9 -33.29 5.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.9 mtt85 -79.63 179.53 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 68' ' ' ILE . 58.4 m-85 -119.76 139.45 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.6 mt -99.76 148.13 24.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.1 t-80 -70.53 160.99 31.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.07 -17.54 74.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.65 -11.0 30.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.8 t -65.2 150.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 38' ' ' SER . 79.5 p -137.62 137.56 38.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 17' ' ' ILE . 43.3 mt -40.08 -30.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.78 -53.95 37.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.09 -22.97 65.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 80.1 mt -84.78 -0.26 53.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.84 47.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.06 150.19 90.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.0 m-85 -73.47 172.31 11.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.58 7.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -137.66 175.98 9.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.1 m -124.69 123.51 40.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -105.98 144.32 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.39 127.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.787 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.2 mtt -149.41 150.3 32.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.1 157.17 18.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.622 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -121.42 146.98 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.668 ' H ' HD23 ' A' ' 95' ' ' LEU . 27.8 m -147.74 154.65 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . . . -127.22 162.47 26.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.529 ' HB3' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -170.62 175.22 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.642 ' C ' HG21 ' A' ' 64' ' ' ILE . 3.7 pt-20 -124.54 -40.72 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 64' ' ' ILE . 65.8 p -113.98 -164.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.67 157.44 86.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -43.71 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -144.46 156.19 57.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -168.99 168.63 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t -93.3 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -176.79 109.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 41.15 -142.29 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -167.83 149.74 5.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 149.92 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.99 121.41 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.88 137.72 13.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t 61.21 168.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.7 t 55.38 94.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 90.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.12 169.94 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 98.44 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.56 124.67 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.82 128.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 80.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.39 92.21 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 101.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 p -71.32 136.84 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.47 137.27 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.654 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG13 ' HD2' ' A' ' 13' ' ' PRO . 87.9 t -53.63 136.91 53.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -173.62 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.6 6.3 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -108.19 -22.14 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 161.29 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.58 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.4 mt -116.47 127.35 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.6 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.9 t30 -86.07 126.31 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 18' ' ' ASN . 1.3 mm? -118.97 138.11 53.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -101.01 108.49 20.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 31' ' ' PHE . 1.6 mm? -92.4 108.24 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.81 147.38 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -75.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' VAL . 23.4 m -123.79 71.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.88 29.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -140.21 -124.45 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLY . 19.3 mttt -39.53 129.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.457 ' HG1' ' C ' ' A' ' 21' ' ' LEU . 9.3 t -147.16 164.92 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 143.66 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.48 139.98 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 45' ' ' HIS . 7.0 m-85 -127.81 179.2 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.45 132.65 41.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.703 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 52.5 m-85 -142.49 163.13 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.44 167.19 9.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.34 17.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.91 -25.75 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.41 153.67 43.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.577 ' CA ' HG22 ' A' ' 79' ' ' THR . 89.3 p -113.8 172.79 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -51.89 -47.56 64.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -47.29 -58.07 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -48.7 -49.95 35.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 46' ' ' VAL . 85.8 mt -55.52 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -60.41 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' CE1' ' A' ' 31' ' ' PHE . 35.8 t60 -41.8 -58.02 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.553 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 42' ' ' ILE . 18.6 t -45.13 -51.25 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -58.47 -38.5 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 1.3 m-20 -99.6 36.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 48' ' ' ASP . 15.2 m-80 -159.75 128.53 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CG ' ' O ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.25 94.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.7 41.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.76 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 55.56 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -43.76 -55.93 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -175.62 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.76 79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -91.9 91.43 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.7 m 40.29 -158.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -58.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.53 166.98 13.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.12 17.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -57.95 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' A' ' 99' ' ' GLU . 18.5 pt -41.25 -35.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 99.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.47 152.72 22.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.667 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -106.81 135.36 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 96' ' ' VAL . 3.3 mp -99.08 140.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 93' ' ' MET . 2.1 t80 -140.44 120.61 13.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.56 19.01 8.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.37 -33.25 6.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.8 mtt85 -79.68 179.89 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 10.5 m-85 -121.64 135.21 54.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 67' ' ' LEU . 63.8 mt -94.15 154.99 17.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.11 161.15 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.668 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -79.62 -22.94 63.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -16.97 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -59.17 150.47 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CA ' ' A' ' 38' ' ' SER . 27.8 p -137.25 138.29 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' ILE . 88.9 mt -39.85 -33.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.88 -51.46 55.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.8 -20.54 65.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 96.4 mt -86.96 -2.17 58.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.75 47.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -69.58 149.92 96.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 129.42 12.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -72.65 167.01 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.23 49.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -133.73 178.07 7.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.242 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -128.78 119.59 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.416 HG21 ' CE ' ' A' ' 93' ' ' MET . 1.9 m -103.38 147.66 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.72 125.86 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' HD11 ' A' ' 67' ' ' LEU . 63.7 mtt -149.8 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -104.9 157.12 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 96' ' ' VAL . 2.4 tt -114.74 148.46 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.766 ' N ' HD23 ' A' ' 95' ' ' LEU . 34.9 m -155.65 164.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.43 105.09 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.2 164.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.625 ' C ' HG23 ' A' ' 100' ' ' THR . 3.8 tt0 -101.52 -15.16 17.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.625 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.84 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.24 154.57 30.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.87 41.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.28 158.42 34.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.65 9.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -140.72 117.41 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 p -135.94 120.58 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -158.94 -60.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.16 72.7 1.22 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.549 1.155 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -146.92 78.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 0.721 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.79 155.38 39.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 t -137.01 91.43 2.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.71 128.51 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.18 4.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 m 53.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.09 81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -154.6 119.9 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 109.964 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -168.37 164.88 12.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.72 168.58 18.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -169.57 146.45 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -153.09 162.44 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 89.47 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.15 160.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.38 -53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m 43.91 82.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 147.39 44.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.5 t -52.33 135.83 41.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -174.98 2.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.08 3.49 28.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 -24.68 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.0 mtp -106.27 163.14 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.4 mt -119.65 116.99 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.8 t30 -78.52 129.85 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -119.6 144.71 46.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.4 107.42 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.6 137.77 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG12 ' CB ' ' A' ' 28' ' ' THR . 25.5 mt -139.1 137.81 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 -69.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' VAL . 31.6 m -135.69 77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.5 t 38.95 42.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.45 -133.68 3.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.68 142.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.433 ' CB ' HG12 ' A' ' 22' ' ' ILE . 12.5 t -139.75 166.1 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.4 163.98 31.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -106.94 129.89 54.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 46' ' ' VAL . 27.4 m-85 -125.8 171.14 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -129.86 131.76 46.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.5 m-85 -143.2 160.43 40.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.07 165.81 12.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.35 19.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -95.53 -25.89 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -67.33 146.61 53.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 79' ' ' THR . 88.1 p -105.52 165.8 10.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.07 -33.9 12.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 t -58.6 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -43.21 -41.25 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -62.11 -74.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -40.38 -48.75 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -54.24 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -41.36 -63.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG22 ' CE2' ' A' ' 31' ' ' PHE . 58.9 t -40.87 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -51.62 -54.21 30.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.78 -54.37 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 32.4 m-80 -98.34 94.13 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 1.3 m0 174.86 87.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.29 4.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.36 142.2 24.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.96 99.51 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -53.36 107.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.3 108.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.33 82.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -96.47 154.07 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -165.16 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' A' ' 64' ' ' ILE . 8.7 m -109.22 159.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.72 33.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.32 141.57 7.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -12.15 21.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.798 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.74 -64.04 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.847 HG22 ' HB3' ' A' ' 99' ' ' GLU . 3.5 pt -46.67 -30.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -93.93 119.19 32.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -118.65 149.15 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -105.67 128.62 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.9 mp -100.93 140.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 91' ' ' THR . 8.5 t80 -141.13 120.44 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.4 7.31 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.93 -41.77 1.98 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -78.93 174.12 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 68' ' ' ILE . 71.3 m-85 -104.45 145.87 29.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 69' ' ' TYR . 77.3 mt -104.88 145.98 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.495 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -70.39 159.7 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.621 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.19 -17.11 77.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.29 -18.02 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.495 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -55.09 149.95 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 38' ' ' SER . 2.4 p -137.0 136.16 38.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.93 -39.45 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.35 -56.08 23.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.93 -28.58 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.5 mt -78.46 -0.91 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.07 45.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.61 150.46 95.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.06 19.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -75.9 172.8 12.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.33 38.42 5.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.59 174.19 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.2 m -124.67 122.69 38.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.7 m -103.66 146.75 28.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -101.31 128.16 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.757 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -147.08 152.24 38.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.41 164.27 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 96' ' ' VAL . 2.9 tt -131.91 149.61 52.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.812 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.3 m -156.96 167.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.66 104.45 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.31 134.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.847 ' HB3' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -87.3 -20.14 27.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.622 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER 56.31 163.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.466 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.09 153.77 43.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.8 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -48.52 157.94 0.66 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.16 10.32 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t30 61.22 99.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t -176.66 121.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.1 89.59 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -174.56 111.35 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.59 130.4 53.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -134.24 121.14 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.04 -71.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ARG . . . 86.67 161.34 35.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.87 10.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.0 p -175.05 136.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.4 p -179.44 153.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -167.75 151.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 139.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.79 -142.57 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 89.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.64 155.63 44.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 141.55 3.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 149.47 31.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.21 91.24 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.59 96.84 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -161.91 144.72 11.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' HA2' ' A' ' 88' ' ' GLY . 96.5 t -70.26 137.41 86.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -175.09 2.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.12 5.15 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -105.92 -23.24 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.4 mtp -105.7 169.82 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.8 mt -126.34 118.01 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 7.4 t30 -79.43 124.89 28.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.9 mm? -112.73 145.76 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -107.3 107.63 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -94.27 121.06 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 94' ' ' HIS . 5.8 mt -105.82 118.0 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.2 176.24 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -41.51 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.9 t 85.34 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.057 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.09 -47.01 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.68 161.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -145.31 165.55 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 174.4 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.82 125.82 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.51 ' HD1' ' HE2' ' A' ' 45' ' ' HIS . 32.0 m-85 -120.29 -175.27 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.24 137.62 40.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.1 m-85 -145.07 161.82 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.39 17.46 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -12.55 21.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 -5.8 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -82.95 138.47 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.4 p -98.71 164.45 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -44.43 -54.51 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.7 t -41.99 -53.63 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -50.72 -49.79 56.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 82.0 mt -58.2 -69.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -40.22 -51.54 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -52.01 67.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.51 ' HE2' ' HD1' ' A' ' 31' ' ' PHE . 4.2 t60 -54.05 -54.97 31.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.634 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG12 ' CZ3' ' A' ' 50' ' ' TRP . 54.2 t -44.26 -56.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 97' ' ' ALA . 2.7 m-85 -62.77 -52.64 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.23 -53.63 20.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 22.9 m-80 -75.01 87.88 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m0 169.27 152.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 37.65 87.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 75.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 172.48 176.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -39.5 121.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.07 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.38 115.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.19 157.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 m -171.83 33.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -137.67 136.32 20.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.91 2.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -40.76 -49.46 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 99' ' ' GLU . 20.0 pt -78.44 64.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.36 115.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -160.86 150.16 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.79 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -114.35 127.31 55.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -93.0 132.22 37.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 5.7 t80 -128.99 120.25 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.01 30.71 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.86 -33.37 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 68' ' ' ILE . 44.6 mtt180 -79.08 179.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' HG13 ' A' ' 68' ' ' ILE . 52.5 m-85 -119.95 136.47 54.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.19 148.67 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -70.66 161.16 31.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -78.33 -20.65 71.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.446 1.092 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 79' ' ' THR . 1.3 t30 -91.31 -20.4 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.4 t -53.86 149.42 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ASN . 43.9 p -137.81 137.54 38.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 17' ' ' ILE . 36.9 mt -39.85 -36.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.63 -51.54 58.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.96 -18.96 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 79.7 mt -89.75 0.19 57.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.44 43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -69.48 151.91 96.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.22 22.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.4 m-85 -78.59 172.63 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.471 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.76 35.69 3.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 4.7 mmmt -128.07 178.94 5.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.3 m -127.81 117.86 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 2.3 m -100.07 145.38 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -99.49 128.29 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.79 ' SD ' HD11 ' A' ' 67' ' ' LEU . 47.8 mtt -149.34 151.92 34.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CE1' HD13 ' A' ' 22' ' ' ILE . 13.2 m80 -111.16 138.77 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.896 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -115.02 142.79 46.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.896 ' H ' HD22 ' A' ' 95' ' ' LEU . 30.6 m -150.01 167.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -130.45 107.83 9.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 177.67 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.567 ' HA ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -172.56 -55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -89.47 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.98 154.67 13.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.55 152.73 64.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 52.45 3.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.574 1.828 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -175.76 113.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 m -101.93 80.75 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.93 130.12 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.12 157.45 39.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -55.06 129.21 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.37 143.31 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.23 114.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.49 93.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.74 32.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -162.69 152.32 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 100.06 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -58.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.16 94.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.19 81.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -134.74 83.56 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -143.8 170.28 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.15 98.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -155.43 97.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p -145.18 93.4 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.22 -66.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.05 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' ASN . 58.0 t -45.84 140.17 4.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.05 -170.92 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -105.11 5.75 32.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -108.98 -22.34 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.1 mtp -108.41 163.15 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.651 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.5 mt -122.26 122.82 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.677 ' HB2' HG21 ' A' ' 12' ' ' VAL . 34.6 t30 -80.57 124.75 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.6 mm? -117.04 131.21 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.86 ' CZ ' HG21 ' A' ' 90' ' ' THR . 1.0 OUTLIER -97.54 111.81 23.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -88.56 135.14 33.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -135.58 119.8 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -108.62 -95.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 m -118.54 172.94 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t 74.32 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.01 -41.2 1.08 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -45.23 121.84 3.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 8.9 t -100.11 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 115.36 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 131.07 35.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' NE2' ' A' ' 45' ' ' HIS . 15.0 m-85 -122.78 -177.14 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.95 133.21 47.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 45.2 m-85 -142.42 166.29 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 162.73 18.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.4 Cg_endo -75.01 -5.81 17.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -101.23 -19.55 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -72.82 132.93 44.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.603 ' CA ' HG22 ' A' ' 79' ' ' THR . 94.6 p -92.73 163.71 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.51 -27.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -60.94 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -48.22 -46.02 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.595 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 90.1 mt -55.88 -72.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.56 -52.05 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -53.83 -58.9 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 56.6 t60 -44.01 -63.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 50' ' ' TRP . 92.1 t -44.46 -57.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 65' ' ' LEU . 1.3 t80 -53.79 -49.35 68.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -48.15 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.0 m120 -63.49 179.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.511 ' CH2' HG13 ' A' ' 46' ' ' VAL . 26.9 m0 61.82 95.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 68.72 5.73 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ttm -157.82 137.59 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.46 142.43 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.15 100.11 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.92 88.12 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 179.62 6.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.23 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.66 141.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 30.59 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -82.37 152.18 67.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -7.7 19.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -133.66 95.12 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.781 HG22 ' HA ' ' A' ' 99' ' ' GLU . 1.1 pt -151.34 -46.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 47' ' ' TYR . 1.8 pt? -74.18 120.63 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.77 161.9 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -111.97 126.94 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.8 mp -103.51 136.06 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 1.9 t80 -133.77 123.28 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.47 15.73 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.61 -35.47 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 ptt180 -79.58 179.18 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' HG13 ' A' ' 68' ' ' ILE . 64.2 m-85 -115.56 142.01 47.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD11 ' HE2' ' A' ' 93' ' ' MET . 96.4 mt -99.86 150.67 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.05 161.18 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.544 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -81.1 -18.99 68.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.68 -15.73 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 75' ' ' HIS . 10.5 t -60.36 154.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.4 p -139.39 136.76 35.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 17' ' ' ILE . 45.3 mt -40.16 -34.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -60.05 -52.46 52.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -61.93 -23.7 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.5 mt -84.21 0.14 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.29 44.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.74 150.58 95.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.58 16.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.3 m-85 -75.35 176.68 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 41.26 36.38 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -127.76 179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.86 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 22.4 m -131.03 117.33 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.0 m -105.32 150.07 25.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.19 132.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.727 ' SD ' HD11 ' A' ' 67' ' ' LEU . 45.4 mtt -148.83 148.31 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -106.01 156.98 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 96' ' ' VAL . 3.1 tt -129.07 149.9 50.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 95' ' ' LEU . 34.2 m -149.23 167.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ARG . . . -128.62 136.35 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER 161.88 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.781 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.5 -13.38 61.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 56.86 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -100.66 154.63 37.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.98 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 153.39 83.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 50.54 2.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -142.69 122.24 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -166.47 100.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.47 130.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.05 168.69 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 137.84 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.24 148.84 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.07 148.31 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.18 86.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.73 10.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.9 p -179.49 159.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -177.93 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 p -175.16 100.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -156.71 157.45 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.98 150.89 8.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.128 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 50.06 86.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 p -160.0 126.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 103.45 2.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -42.79 117.51 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 0.725 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -126.29 152.01 46.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 135.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -156.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 ' HD2' ' A' ' 13' ' ' PRO . 71.7 t -79.32 137.85 55.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 3.17 38.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -103.38 -24.3 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 33' ' ' PHE . 1.5 mtp -111.0 159.0 18.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' A' ' 80' ' ' LEU . 5.1 mt -116.1 122.28 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' HG21 ' A' ' 12' ' ' VAL . 6.3 t30 -81.35 127.07 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' SD ' ' A' ' 93' ' ' MET . 1.5 mm? -113.1 145.08 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -104.34 107.89 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -95.8 118.82 33.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 24' ' ' VAL . 3.8 mt -105.63 99.37 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD23 ' CH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -72.76 -64.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 27' ' ' LYS . 5.9 m -77.08 -172.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -89.05 40.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 177.05 -87.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.23 146.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 1.4 t -154.07 149.54 27.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -106.53 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -118.82 133.23 55.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -126.88 179.53 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -131.19 148.86 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 41.0 m-85 -156.94 160.11 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 165.28 13.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.03 -7.37 19.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.79 -29.93 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -57.11 150.4 17.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -104.64 176.5 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.539 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -60.16 -45.34 93.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -52.16 63.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -48.75 52.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 88.1 mt -58.23 -72.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 65' ' ' LEU . . . -39.57 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -48.2 -57.66 5.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.584 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 69.8 t60 -46.99 -62.05 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.574 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.9 t -49.85 -67.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CZ ' ' CE3' ' A' ' 54' ' ' TRP . 0.4 OUTLIER -45.25 -37.27 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -45.12 71.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.584 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.7 m120 -68.03 87.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER 169.89 151.75 0.16 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.492 1.785 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.51 103.9 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -173.48 79.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' CE3' ' CZ ' ' A' ' 47' ' ' TYR . 10.2 m95 -153.0 166.68 31.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -112.43 69.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE2' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -99.59 176.06 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.13 -55.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.45 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG23 ' OE2' ' A' ' 56' ' ' GLU . 34.1 m -127.66 171.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -174.23 34.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -99.12 147.12 32.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -17.95 18.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.85 -31.31 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pt -107.7 56.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 43' ' ' ALA . 7.3 mt -153.61 93.27 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 142.64 36.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.795 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -110.17 128.09 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.514 HG13 ' CD2' ' A' ' 73' ' ' PHE . 1.9 mp -90.69 139.08 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 93' ' ' MET . 27.5 t80 -139.72 119.07 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 59.48 29.09 18.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.13 -34.34 5.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.6 mtt180 -81.49 -176.52 6.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 68' ' ' ILE . 48.2 m-85 -120.61 137.76 54.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 83' ' ' LEU . 82.8 mt -95.21 147.48 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.45 161.19 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.539 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.76 -26.65 60.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.48 -27.09 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.5 t -48.75 151.82 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ALA . 27.4 p -139.32 142.5 37.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 ' HB ' ' A' ' 17' ' ' ILE . 33.3 mt -43.97 -28.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -64.55 -43.57 96.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -68.48 -28.39 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 74' ' ' LEU . 48.5 mt -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.47 41.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -64.26 151.36 90.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.95 20.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.07 169.98 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.472 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 43.9 44.44 7.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -136.21 177.64 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.1 m -124.45 120.75 32.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.2 m -104.19 144.43 31.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -98.77 130.6 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.795 ' SD ' HD11 ' A' ' 67' ' ' LEU . 50.1 mtt -153.57 148.15 26.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -102.95 163.6 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.662 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.4 OUTLIER -124.93 145.02 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.596 ' H ' HD23 ' A' ' 95' ' ' LEU . 22.7 m -147.7 173.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.73 118.92 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.84 165.6 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -137.26 -44.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.3 p -87.96 -169.55 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.89 156.79 90.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -134.03 156.83 78.85 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.33 8.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -139.64 164.82 28.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 m -139.85 125.08 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.99 87.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.56 86.27 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -109.88 123.04 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 126.39 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.6 t 177.67 -58.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -41.92 114.06 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.7 m -50.96 168.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 t -126.01 -57.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 71.74 -59.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -101.68 158.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -158.42 14.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p 55.3 170.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t 65.34 127.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.23 112.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt -112.18 134.65 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.35 110.93 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 121.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -85.07 175.97 8.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 18' ' ' ASN . 76.4 t -51.7 135.92 35.09 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.04 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.95 5.41 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.4 -21.9 12.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 mtp -109.96 164.49 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 80' ' ' LEU . 12.3 mt -122.22 116.72 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.627 ' HB2' HG21 ' A' ' 12' ' ' VAL . 10.8 t30 -76.04 127.5 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 33' ' ' PHE . 10.6 mt -123.04 135.98 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -99.04 118.33 35.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.6 mm? -97.29 107.09 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.83 HD11 HG13 ' A' ' 92' ' ' VAL . 4.9 mt -99.25 139.37 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tp -80.01 -82.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' VAL . 25.1 m -121.65 74.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.05 33.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.63 -127.32 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -40.3 135.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 ' HG1' ' H ' ' A' ' 29' ' ' LYS . 6.7 t -145.41 164.52 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' HG1' ' A' ' 28' ' ' THR . 6.0 tttt -135.28 128.29 31.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.48 131.79 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.499 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.5 m-85 -123.18 -178.69 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.84 137.17 49.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 36.6 m-85 -143.38 167.33 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.66 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.1 Cg_endo -75.07 -6.36 17.92 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -101.49 -17.05 16.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -75.97 140.12 41.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.613 ' CA ' HG22 ' A' ' 79' ' ' THR . 83.2 p -97.3 168.43 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -48.36 -41.32 28.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -54.48 -53.41 54.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -53.91 -41.02 67.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.96 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.8 mt -64.27 -73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.51 -64.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.61 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.581 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 32.4 t60 -40.0 -59.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 21' ' ' LEU . 72.8 t -46.07 -61.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -52.16 -51.51 57.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -45.82 60.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.581 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.9 m120 -62.77 -59.97 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.484 ' CE3' HG12 ' A' ' 46' ' ' VAL . 1.1 m0 -54.31 117.48 13.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.02 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.69 5.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 tmm? 56.41 81.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -137.2 80.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -175.53 145.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.39 51.49 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.79 61.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -89.64 74.96 7.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.31 40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -127.18 158.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.11 33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -140.22 142.07 28.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.67 14.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.07 -29.03 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 pt -111.59 65.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.34 126.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.41 138.12 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -99.55 122.52 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.2 mp -95.32 135.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.7 t80 -136.23 121.14 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 65.82 10.66 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.73 3.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 68' ' ' ILE . 80.3 mtt180 -80.04 175.26 10.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 68' ' ' ILE . 17.8 m-85 -112.34 137.42 50.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -97.05 150.15 21.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.0 160.96 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.75 -19.41 68.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 -12.87 28.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.8 t -62.15 153.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.613 HG22 ' CA ' ' A' ' 38' ' ' SER . 2.2 p -138.86 138.0 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 17' ' ' ILE . 50.6 mt -42.57 -29.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -61.83 -45.04 97.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -72.16 -25.9 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -80.19 -0.49 36.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.25 46.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.76 149.65 90.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.09 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.0 168.7 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.27 29.69 30.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -123.97 178.81 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -133.96 117.96 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 69' ' ' TYR . 3.0 m -104.28 145.37 30.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG13 HD11 ' A' ' 22' ' ' ILE . 79.0 t -96.33 125.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.73 ' SD ' HD11 ' A' ' 67' ' ' LEU . 46.7 mtt -137.1 143.22 42.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -101.07 151.86 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -117.64 145.63 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.681 ' H ' HD23 ' A' ' 95' ' ' LEU . 30.4 m -156.56 158.15 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.9 107.38 9.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 6.7 tpt180 178.06 147.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 98' ' ' ARG . 3.8 tt0 -63.35 -149.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.8 p -105.86 -178.48 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.83 158.05 38.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 79.39 2.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -135.09 160.18 69.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 81.25 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.32 172.84 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -174.39 120.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.69 134.08 33.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.84 147.55 17.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.93 115.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 60.6 113.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -170.18 112.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 167.96 12.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.61 33.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.59 170.05 16.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.042 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.38 170.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -145.08 157.21 44.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 118.14 2.0 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -160.64 152.19 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -110.76 84.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.76 179.03 36.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.123 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -132.56 -56.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -167.28 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 58.29 92.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 63.29 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.615 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 47.4 t -62.3 136.45 95.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.94 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.03 -1.27 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.19 -30.81 12.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 86.1 mmm -97.33 175.16 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.722 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -131.64 122.06 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' HD22 ' A' ' 19' ' ' LEU . 2.2 t30 -79.21 124.28 28.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.722 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.6 mm? -115.86 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -96.68 108.6 21.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.8 mm? -89.95 125.46 35.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 2.8 mp -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -127.78 -84.13 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -124.65 170.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.86 -55.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.81 -42.09 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.96 130.05 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CG1' ' A' ' 22' ' ' ILE . 4.5 t -105.62 157.49 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -121.47 131.97 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -90.82 123.93 34.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 46' ' ' VAL . 5.9 m-85 -116.42 175.51 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.61 127.99 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.674 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 50.2 m-85 -140.51 168.11 20.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.83 163.49 17.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.99 -6.48 18.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -96.12 -20.41 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.74 142.42 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 79' ' ' THR . 84.2 p -97.28 165.23 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.35 -42.55 31.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -55.29 32.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -41.54 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.674 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 85.2 mt -64.29 -71.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 65' ' ' LEU . . . -44.02 -49.08 8.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -51.54 69.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -43.98 -53.33 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG13 ' CZ2' ' A' ' 50' ' ' TRP . 50.8 t -55.53 -45.13 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' HD22 ' A' ' 65' ' ' LEU . 2.9 m-85 -65.47 -17.88 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.05 28.47 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.33 -47.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ2' HG13 ' A' ' 46' ' ' VAL . 7.2 m0 -89.11 157.83 47.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 ttm -42.84 -66.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 55.97 176.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.806 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 1.3 m-90 55.53 173.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 107.965 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.66 53.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 161.0 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -108.66 -54.16 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' VAL . 7.3 tt0 -177.62 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG23 ' H ' ' A' ' 60' ' ' SER . 5.8 m -39.79 -54.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER 43.64 31.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 m -71.52 146.45 91.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 65' ' ' LEU . 18.5 Cg_endo -74.94 -21.57 15.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -58.1 -37.47 74.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 pt -91.42 67.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD11 ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER 178.62 134.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -147.22 162.9 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.57 133.49 51.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -103.38 137.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HG23 ' A' ' 91' ' ' THR . 5.6 t80 -132.53 115.05 15.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 58.28 30.01 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.48 6.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 68' ' ' ILE . 75.8 mtt180 -79.11 179.06 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD2' HG13 ' A' ' 68' ' ' ILE . 62.9 m-85 -121.03 139.7 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.86 148.58 25.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -71.08 160.86 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.6 -28.64 60.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -82.22 -23.02 35.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.7 t -54.8 147.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 38' ' ' SER . 71.9 p -138.53 137.18 36.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.13 -31.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -59.45 -56.77 23.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.14 64.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 84' ' ' LYS . 95.4 mt -83.37 -2.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.55 44.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.95 149.9 94.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -73.71 173.02 10.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.24 39.83 13.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.5 177.07 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -127.33 115.94 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.533 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.3 m -104.07 142.88 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.26 131.07 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.761 ' SD ' HD11 ' A' ' 67' ' ' LEU . 53.1 mtt -152.27 145.21 24.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -113.63 161.42 17.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.741 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -129.58 146.67 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.741 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.1 m -151.94 161.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.39 105.86 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.7 tpp180 -173.21 142.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 100' ' ' THR . 6.0 pt-20 -63.63 -148.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 74.0 p -119.37 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.1 mt -54.19 154.41 8.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.62 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.8 153.63 52.14 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 50.58 2.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -80.04 110.88 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.76 142.77 48.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -54.23 156.32 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.05 103.85 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -177.31 58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 108.14 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.4 t -175.77 143.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.19 107.06 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -176.13 2.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.7 t -168.91 137.0 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 170.83 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 161.43 34.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -164.98 -58.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.74 -125.88 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.59 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.28 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.58 89.12 1.09 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtp -119.11 92.3 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.42 127.69 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 -69.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 141.97 47.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 86.4 t -68.05 135.72 91.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -108.91 7.1 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.89 -22.4 12.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -107.97 170.23 8.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.4 mt -126.46 122.57 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.566 ' C ' HD22 ' A' ' 19' ' ' LEU . 10.8 t30 -81.8 127.2 32.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.8 mm? -117.05 141.68 47.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -106.35 107.92 19.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -85.83 133.49 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.37 108.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.655 ' HG ' HG13 ' A' ' 24' ' ' VAL . 7.2 tp -99.67 -84.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' HG ' ' A' ' 23' ' ' LEU . 13.6 m -126.96 -178.34 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 t 70.27 -66.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.7 -52.28 0.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -40.39 125.75 2.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 10.1 t -95.22 162.32 13.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 114.95 19.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.56 133.2 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -128.98 -174.95 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.18 132.46 33.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.848 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 51.5 m-85 -140.32 174.27 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.59 161.57 25.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.03 -5.28 16.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.808 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -100.12 -23.2 14.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.58 143.25 56.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 79' ' ' THR . 79.3 p -101.69 161.15 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.83 -47.53 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -47.55 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -50.4 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.848 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 78.5 mt -56.98 -72.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.37 -48.79 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -56.37 22.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -42.55 -51.53 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 21' ' ' LEU . 98.3 t -49.64 -58.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.43 -46.23 86.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.35 -49.07 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.56 170.76 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.465 ' CH2' HG13 ' A' ' 46' ' ' VAL . 13.2 m0 68.65 95.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.91 57.46 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.54 167.95 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.45 ' HH2' HD22 ' A' ' 95' ' ' LEU . 2.8 t-105 58.62 84.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -138.28 72.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -167.13 68.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.97 174.52 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -171.54 -39.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.9 m -44.47 145.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 24.78 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -73.25 153.32 90.37 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -6.94 18.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -133.17 95.4 3.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.416 HG23 ' HG3' ' A' ' 99' ' ' GLU . 1.0 OUTLIER -151.87 -46.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.46 92.68 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 125.84 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -97.03 142.44 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -103.06 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -138.51 118.3 13.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.76 11.25 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.43 -41.32 2.18 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -79.23 -175.17 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 68' ' ' ILE . 16.1 m-85 -118.64 148.63 42.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 83' ' ' LEU . 57.4 mt -100.77 153.1 19.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -73.38 161.15 30.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.11 -26.83 61.19 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t-20 -85.36 -22.73 28.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.0 t -52.82 147.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 38' ' ' SER . 67.2 p -137.73 140.26 40.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' ILE . 35.9 mt -39.71 -32.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -62.1 -53.36 43.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -62.38 -18.8 62.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 74' ' ' LEU . 75.3 mt -89.77 -1.51 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.63 48.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -72.16 150.52 92.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 132.51 15.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.8 m-85 -72.76 172.49 10.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 45.72 34.72 5.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.13 178.93 5.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.9 m -133.11 116.12 15.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -99.24 146.97 25.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -101.39 123.18 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.596 ' SD ' HD12 ' A' ' 19' ' ' LEU . 37.6 mtt -146.63 145.49 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -103.59 164.93 11.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.4 tt -127.59 148.66 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.806 ' H ' HD23 ' A' ' 95' ' ' LEU . 35.6 m -150.69 159.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 105.86 8.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -157.21 152.84 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.623 ' C ' HG23 ' A' ' 100' ' ' THR . 2.7 tt0 -114.95 -12.06 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.623 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 57.24 161.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.53 153.57 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.78 2.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.68 153.02 42.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.25 3.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.38 92.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -174.42 87.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -166.42 141.69 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -158.24 69.99 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -170.77 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.02 88.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.08 124.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.44 111.98 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.07 35.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -116.6 160.96 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.97 170.25 17.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.05 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -173.16 168.68 4.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.073 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.76 69.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.34 120.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 0.808 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -164.32 161.67 21.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.22 168.31 22.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.83 93.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 -56.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.97 103.98 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.0 m80 -43.48 136.07 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 18' ' ' ASN . 55.3 t 61.33 143.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.73 6.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -108.17 -24.02 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtp -109.82 158.16 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -117.49 126.23 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.985 ' HB2' HG21 ' A' ' 12' ' ' VAL . 50.4 t-20 -86.47 121.45 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -115.61 129.84 56.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 2.7 mtt180 -91.14 107.85 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 46' ' ' VAL . 2.4 mm? -82.06 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -132.6 124.34 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD21 ' HZ3' ' A' ' 50' ' ' TRP . 3.5 mm? -111.39 -85.95 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.0 m -126.32 176.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 t 69.03 -66.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.44 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -43.26 121.0 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 9.7 t -102.64 161.07 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -124.77 138.72 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.56 127.2 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.01 -173.63 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 6.4 mt -137.52 133.45 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 38.8 m-85 -148.02 166.25 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.71 163.91 16.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.5 Cg_endo -74.92 -5.22 16.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -96.45 -27.79 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.57 132.97 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.569 ' CB ' HG22 ' A' ' 79' ' ' THR . 79.9 p -90.61 167.17 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.26 -41.54 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -54.72 -63.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 1.2 m-20 -39.72 -49.99 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.3 mt -57.64 -74.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' ILE . . . -38.99 -52.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.25 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -43.73 -53.57 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' ' CH2' ' A' ' 50' ' ' TRP . 33.1 t -58.85 -55.75 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -49.3 -48.81 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.67 -39.76 37.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.46 164.24 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.66 ' CH2' ' CG1' ' A' ' 46' ' ' VAL . 12.8 m0 75.42 95.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.92 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 57.72 -177.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.41 174.58 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -100.11 177.08 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 174.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.15 177.08 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 170.32 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -178.35 54.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.527 HG23 HD13 ' A' ' 64' ' ' ILE . 8.6 m -123.8 163.97 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -146.73 84.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.61 168.13 18.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -8.53 20.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.581 ' OD1' ' CZ ' ' A' ' 73' ' ' PHE . 62.4 m-80 -76.27 -44.3 37.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.527 HD13 HG23 ' A' ' 59' ' ' VAL . 10.9 pt -69.9 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER 168.29 43.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -163.58 178.27 8.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.967 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -107.43 125.93 51.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 73' ' ' PHE . 2.7 mp -93.78 139.78 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -142.6 115.66 8.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 69.52 6.74 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.44 -42.69 1.64 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 17.8 ptt180 -79.13 176.81 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CZ ' ' OD1' ' A' ' 63' ' ' ASN . 6.0 m-85 -111.61 152.13 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 HD21 ' A' ' 67' ' ' LEU . 85.9 mt -105.86 149.48 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.8 160.45 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.61 -24.88 64.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 79' ' ' THR . 1.1 t-20 -88.58 -21.95 23.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.1 t -53.45 149.27 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 38' ' ' SER . 80.3 p -138.97 138.22 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 45.9 mt -39.54 -39.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -54.4 -48.55 64.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -67.65 -23.18 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 84' ' ' LYS . 94.0 mt -83.44 0.86 44.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.4 150.27 97.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.28 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 35' ' ' PRO . 23.7 m-85 -78.37 177.0 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 13' ' ' PRO . . . 43.44 26.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -122.27 178.84 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 21.4 m -121.32 129.29 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.9 m -119.65 149.05 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.5 t -107.73 130.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.967 ' SD ' HD11 ' A' ' 67' ' ' LEU . 16.5 mtt -152.09 140.65 20.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -98.83 108.31 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.904 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -89.82 142.96 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.904 ' H ' HD22 ' A' ' 95' ' ' LEU . 15.9 m -155.82 139.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 98' ' ' ARG . . . -129.77 104.18 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' ALA . 2.3 mtt-85 51.73 175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' CD ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -107.72 -18.84 13.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 99' ' ' GLU . 11.6 p -122.56 131.82 54.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 101' ' ' LEU . 3.3 pp -41.18 156.87 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.01 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.8 157.03 0.49 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.56 1.821 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -139.25 97.17 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -99.49 125.23 45.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -155.74 -58.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.7 -178.69 18.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.3 115.91 30.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.29 143.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.76 -176.6 42.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.91 11.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.3 m -136.03 96.29 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -68.68 -58.46 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.09 80.29 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -172.86 161.44 4.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.21 149.9 5.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.12 142.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -176.87 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 150.84 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.13 101.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m 62.34 83.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.4 110.28 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -169.06 165.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 18' ' ' ASN . 84.2 t -86.1 136.39 36.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 -172.83 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -107.38 6.77 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -108.62 -22.11 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 mtp -104.76 170.43 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.9 mt -126.09 116.09 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 19' ' ' LEU . 9.9 t30 -76.41 128.43 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.8 136.82 53.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HG21 ' A' ' 28' ' ' THR . 2.2 ttt180 -98.45 108.23 20.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -90.52 107.09 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 94' ' ' HIS . 32.3 mt -89.25 127.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD11 ' CH2' ' A' ' 50' ' ' TRP . 4.1 mt -114.61 170.67 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -44.46 161.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 1.5 t 81.6 -55.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.65 -43.14 0.94 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.7 137.21 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 HG21 ' HD3' ' A' ' 20' ' ' ARG . 5.3 t -131.11 160.14 35.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.25 173.02 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -124.35 126.61 46.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.518 ' HD2' HD23 ' A' ' 21' ' ' LEU . 22.6 m-85 -118.01 -173.77 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -136.36 133.65 37.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.84 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 68.4 m-85 -141.44 161.4 38.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.72 164.25 15.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -10.03 21.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -97.81 -8.34 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.26 139.93 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 p -97.36 160.12 14.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -42.83 -46.62 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -49.48 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 10.4 m-20 -42.31 -44.43 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.84 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 41.2 mt -61.92 -75.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.44 -55.1 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -53.88 -56.97 12.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.425 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 7.6 t60 -44.82 -60.68 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' CZ3' ' A' ' 50' ' ' TRP . 59.3 t -43.04 -64.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.18 -58.54 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.47 -57.4 4.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 9.4 m-80 -79.63 85.66 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.785 ' CH2' HD11 ' A' ' 23' ' ' LEU . 4.4 m0 178.63 120.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.03 32.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.5 ttt 71.76 -58.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 62.02 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.91 145.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 107.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.96 152.91 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.85 172.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.19 173.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 178.16 46.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.5 157.75 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 31.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -56.7 148.53 46.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -76.68 -39.79 50.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.618 HG22 ' HB2' ' A' ' 99' ' ' GLU . 1.2 pt -103.99 65.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 176.39 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -152.29 133.44 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.2 OUTLIER -94.69 125.28 39.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.52 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.0 mp -96.74 140.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CD2' HD11 ' A' ' 74' ' ' LEU . 2.5 t80 -138.24 120.18 15.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 59.32 20.11 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.76 -33.85 6.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' ILE . 37.0 mtt180 -80.01 178.95 7.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CD2' HG13 ' A' ' 68' ' ' ILE . 26.8 m-85 -118.96 134.97 54.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 69' ' ' TYR . 83.9 mt -94.16 147.13 23.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.509 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.2 t-80 -69.29 161.19 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -80.01 -17.02 75.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.7 -16.95 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.9 t -57.66 152.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' ALA . 67.0 p -139.26 136.64 35.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD13 ' HB ' ' A' ' 17' ' ' ILE . 24.5 mt -39.94 -35.67 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.49 -50.54 66.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -64.28 -20.71 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 86.1 mt -87.72 -0.19 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.2 46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -71.37 150.54 94.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.13 22.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 23.0 m-85 -80.01 169.17 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.93 36.18 19.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -129.77 179.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.4 m -126.88 121.29 31.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -102.67 150.77 23.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.78 127.28 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 67' ' ' LEU . 48.3 mtt -149.61 151.44 33.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 22' ' ' ILE . 18.0 m170 -108.75 143.64 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.895 HD22 ' H ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.57 142.74 46.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.895 ' H ' HD22 ' A' ' 95' ' ' LEU . 33.6 m -156.31 168.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.27 105.45 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -167.41 154.29 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 64' ' ' ILE . 4.0 tt0 -86.1 -12.08 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.609 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.5 OUTLIER 56.68 161.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.6 pp -84.81 154.19 61.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.44 13.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.93 157.71 7.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.6 5.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.97 174.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 92.37 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -115.71 165.86 12.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -130.78 -125.32 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.13 153.66 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.52 139.92 30.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -56.59 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.85 141.58 10.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.3 m 66.76 111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -180.0 127.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -167.41 79.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 0.0 109.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.4 m 62.76 162.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.48 67.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -172.63 88.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -158.19 148.68 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 65.73 0.7 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -131.86 111.53 11.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -158.5 85.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.48 128.41 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 60.29 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 ' HD2' ' A' ' 13' ' ' PRO . 48.7 t -104.35 141.02 21.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.44 5.74 29.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.26 -23.04 12.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -107.17 168.78 8.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.805 HG22 ' CD2' ' A' ' 19' ' ' LEU . 5.1 mt -126.41 122.73 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 19' ' ' LEU . 31.4 t-20 -80.43 118.99 22.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.805 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.2 mm? -112.15 127.54 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.66 108.14 20.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 46' ' ' VAL . 1.7 mm? -86.98 113.52 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 92' ' ' VAL . 13.9 mt -109.4 114.38 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tp -106.7 -179.94 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.4 170.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -58.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.68 -46.51 0.86 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.33 120.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 ' CB ' HG12 ' A' ' 22' ' ' ILE . 8.9 t -115.3 160.65 19.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.52 136.31 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 135.93 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.452 ' HD2' HD23 ' A' ' 21' ' ' LEU . 48.3 m-85 -124.88 -178.86 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 HG13 ' A' ' 12' ' ' VAL . 1.1 mt -128.89 137.69 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 58.5 m-85 -142.68 173.3 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.51 160.7 29.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -75.01 -5.63 17.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -100.05 -14.92 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -74.38 163.12 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.502 ' CA ' HG22 ' A' ' 79' ' ' THR . 66.5 p -119.29 166.19 13.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.29 61.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -48.02 -55.88 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -46.84 64.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 92.3 mt -54.5 -72.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.9 -60.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.3 mmtm -46.47 -66.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' OD1' ' A' ' 49' ' ' ASN . 65.9 t60 -40.09 -66.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 21' ' ' LEU . 81.8 t -49.19 -65.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -42.29 -37.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.81 -46.27 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CD2' ' A' ' 45' ' ' HIS . 3.2 m120 -68.76 90.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 167.37 93.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 107.983 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.03 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.2 ttt -145.01 133.09 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLU . 6.1 m-20 -41.61 -50.14 4.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER 71.34 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASP . 2.1 tt0 78.08 -174.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.28 104.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.03 159.25 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -170.04 54.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.27 175.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -130.94 29.43 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.44 149.0 98.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.57 21.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.08 -47.85 69.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 99' ' ' GLU . 1.4 pt -92.37 54.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.47 82.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.09 121.23 29.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.99 130.25 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 mp -94.8 136.54 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HE1' HG23 ' A' ' 91' ' ' THR . 10.1 t80 -135.09 107.35 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 63.14 35.79 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.35 -37.1 3.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 93.9 mtt180 -79.04 179.14 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD2' HG13 ' A' ' 68' ' ' ILE . 47.2 m-85 -119.86 147.84 44.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 93' ' ' MET . 75.6 mt -108.89 147.64 31.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.502 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -74.51 161.15 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.558 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.49 -26.99 62.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -84.8 -26.82 27.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 75' ' ' HIS . 4.9 t -48.19 148.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.502 HG22 ' CA ' ' A' ' 38' ' ' SER . 3.8 p -138.25 138.37 38.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.7 mt -39.9 -36.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -55.11 -57.88 16.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.43 -25.33 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 84' ' ' LYS . 73.2 mt -78.33 -4.16 46.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.86 45.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -70.5 151.33 95.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.77 12.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.23 172.36 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.42 38.38 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.49 179.18 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.759 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -124.55 123.17 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 69' ' ' TYR . 1.5 m -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 22' ' ' ILE . 69.3 t -112.12 125.95 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 19' ' ' LEU . 45.1 mtt -147.36 149.81 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -108.81 162.06 14.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.7 tt -127.92 147.43 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.777 ' H ' HD23 ' A' ' 95' ' ' LEU . 29.8 m -157.09 155.92 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.11 107.04 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -178.31 149.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 5.4 pt-20 -130.0 121.87 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -141.46 173.51 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.29 156.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.15 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.44 153.89 44.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.6 148.28 51.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.3 t -121.1 80.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -178.47 150.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -137.85 -165.24 10.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -101.77 143.56 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.29 143.64 22.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t 67.68 170.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.74 103.79 2.13 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.69 28.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -155.43 164.77 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.1 t -91.95 -57.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -168.5 142.02 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.38 160.06 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.43 127.95 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.91 96.71 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m 57.97 169.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.09 -123.2 7.61 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.56 111.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 0.717 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -152.95 134.36 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 104.16 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.07 168.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 18' ' ' ASN . 91.9 t -80.76 136.09 51.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -109.1 6.35 24.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -108.73 -21.71 12.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.1 mtp -107.48 172.54 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.731 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.6 mt -127.9 120.85 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.562 ' O ' HD22 ' A' ' 19' ' ' LEU . 7.2 t30 -81.51 128.48 33.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.0 mm? -118.04 146.92 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 0.8 OUTLIER -109.25 108.26 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -91.31 118.43 30.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt -114.27 149.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 27' ' ' LYS . 7.2 m -61.21 -150.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -90.44 37.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.45 -56.55 0.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.574 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -40.66 155.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.723 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.435 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -146.16 154.64 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -108.03 123.58 48.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -80.51 124.09 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -116.67 -179.95 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.49 132.32 37.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.4 m-85 -137.53 170.73 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 160.36 29.12 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.57 18.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -100.0 -8.39 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.53 146.39 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -99.44 170.43 8.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -54.54 -47.36 73.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 t -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -45.94 -47.82 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.5 mt -57.36 -74.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.21 -46.87 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -57.18 13.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -40.62 -47.12 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG13 ' CZ3' ' A' ' 50' ' ' TRP . 84.4 t -57.06 -58.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.56 -45.93 80.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.38 -61.06 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -92.61 106.1 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.76 ' CZ3' HG13 ' A' ' 46' ' ' VAL . 3.0 t90 65.1 87.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.813 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.82 88.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.94 167.47 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -106.98 -59.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 107.984 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.06 176.14 7.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.41 141.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.72 109.91 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -169.71 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -119.24 154.4 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -171.06 32.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -131.36 145.68 58.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -21.51 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -61.56 -24.98 67.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 99' ' ' GLU . 1.2 pt -120.81 63.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -179.83 135.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.62 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.5 mtm180 -156.12 153.69 29.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -104.47 132.45 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 96' ' ' VAL . 3.5 mp -95.59 139.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE1' HG23 ' A' ' 91' ' ' THR . 3.2 t80 -141.16 118.3 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.9 27.34 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.84 -35.45 4.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.163 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 68' ' ' ILE . 74.7 mtt180 -79.76 -178.51 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CD2' HG13 ' A' ' 68' ' ' ILE . 7.0 m-85 -122.71 144.55 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.504 HD13 HD11 ' A' ' 83' ' ' LEU . 89.2 mt -103.54 149.48 24.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.511 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.92 161.1 29.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -77.44 -23.74 67.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -25.98 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 75' ' ' HIS . 5.3 t -48.2 152.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -139.45 138.8 36.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 17' ' ' ILE . 41.4 mt -40.36 -38.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -53.53 43.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 -21.11 65.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 84' ' ' LYS . 98.9 mt -84.98 -0.33 53.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.13 45.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 150.25 89.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.93 21.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 21.7 m-85 -78.0 175.4 10.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.4 4.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -126.19 178.93 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 m -133.99 115.6 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' CE1' ' A' ' 69' ' ' TYR . 1.1 m -98.36 147.59 24.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 22' ' ' ILE . 82.2 t -101.76 129.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 19' ' ' LEU . 48.1 mtt -149.59 143.37 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -101.27 153.7 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.792 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -112.4 149.2 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.792 ' H ' HD23 ' A' ' 95' ' ' LEU . 27.6 m -156.35 162.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.48 119.66 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 171.51 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -144.11 -97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.445 ' HG1' ' C ' ' A' ' 99' ' ' GLU . 8.6 p 45.55 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.3 mt -83.48 154.44 65.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.95 28.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.88 152.87 38.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 52.84 3.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 55.46 179.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.18 97.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -94.85 161.04 14.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -135.93 131.23 5.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 156.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 161.08 14.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 p -144.78 165.44 28.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.21 157.35 51.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.12 23.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -146.13 148.06 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.6 p -169.15 160.04 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t 179.16 94.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -163.92 156.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 92.2 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -134.42 118.85 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.793 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -152.3 131.89 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.51 -177.96 36.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttp -171.68 132.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 104.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 99.38 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.8 166.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.613 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 74.1 t -87.97 136.57 32.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 5.17 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.0 -23.23 12.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.0 mtp -108.89 165.6 11.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.541 ' HB ' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -122.29 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.496 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.1 t30 -75.89 130.76 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' A' ' 33' ' ' PHE . 12.0 mt -124.37 142.89 50.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 22' ' ' ILE . 11.6 ttm180 -105.29 107.94 19.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -92.89 105.72 17.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 20' ' ' ARG . 6.9 mt -101.01 146.48 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.42 -77.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' VAL . 22.2 m -122.23 74.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.75 34.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.41 -115.54 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -40.26 132.17 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -153.4 165.01 37.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -139.87 142.97 36.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.32 126.99 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 21' ' ' LEU . 23.1 m-85 -118.45 178.57 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.12 134.46 38.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 46.1 m-85 -138.94 168.52 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.61 162.3 20.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.97 -5.89 17.38 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.09 -29.35 13.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.21 150.28 43.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 p -105.06 171.63 7.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.86 46.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -61.68 -59.98 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.63 -44.8 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.918 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 76.1 mt -59.43 -75.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -43.41 -53.12 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.13 -53.53 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -48.21 -54.03 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.583 HG13 ' CH2' ' A' ' 50' ' ' TRP . 63.4 t -47.92 -51.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.07 -52.13 66.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.09 -49.62 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.53 164.59 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.583 ' CH2' HG13 ' A' ' 46' ' ' VAL . 6.7 m0 70.88 118.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -56.63 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.05 166.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.662 ' HH2' HD22 ' A' ' 95' ' ' LEU . 6.5 p-90 -109.69 121.65 45.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 62.15 119.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -172.42 115.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -61.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 177.17 45.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 64' ' ' ILE . 34.2 m -131.63 160.91 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.02 32.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.72 148.18 50.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -9.52 20.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -77.75 -25.5 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 59' ' ' VAL . 3.5 pt -109.58 30.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD13 ' HB1' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -154.34 136.22 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.0 146.92 27.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -112.66 128.89 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 73' ' ' PHE . 3.4 mp -99.05 138.56 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' CG2' ' A' ' 91' ' ' THR . 3.0 t80 -142.09 120.75 12.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 68.79 7.65 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.33 -41.07 2.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 ptt85 -79.38 -177.29 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 68' ' ' ILE . 40.6 m-85 -114.69 146.45 40.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 67' ' ' LEU . 48.4 mt -101.94 154.35 19.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.542 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -75.5 161.04 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.95 -22.72 63.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -15.66 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.2 t -60.64 149.53 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 81' ' ' GLY . 33.8 p -139.43 138.34 36.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD13 ' HB ' ' A' ' 17' ' ' ILE . 34.8 mt -39.97 -32.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.26 -52.58 52.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -66.39 -22.84 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 84' ' ' LYS . 67.0 mt -81.24 -3.31 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.12 44.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -70.77 149.83 95.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 132.31 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.07 170.66 15.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.68 33.97 27.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -132.64 178.03 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.5 m -132.75 130.35 39.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.432 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.526 ' CG2' ' CE1' ' A' ' 69' ' ' TYR . 18.4 m -112.7 155.38 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.2 t -102.23 123.76 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 67' ' ' LEU . 44.0 mtt -139.9 142.37 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.24 152.55 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 109.582 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 96' ' ' VAL . 2.2 tt -114.1 149.43 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.771 ' H ' HD23 ' A' ' 95' ' ' LEU . 31.0 m -147.28 158.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.5 113.3 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.82 164.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.602 ' C ' HG23 ' A' ' 100' ' ' THR . 4.0 tt0 -86.98 -13.39 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.602 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 56.59 162.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.6 mt -48.62 154.5 1.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -56.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.8 172.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 66.45 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -74.7 143.7 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 m 57.75 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 66.06 108.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.17 85.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -156.65 166.05 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.767 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -174.99 144.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -136.31 166.95 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.78 -141.6 14.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.57 16.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.7 m -105.41 102.02 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.58 148.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.098 . . . . 0.0 110.993 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.63 95.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.0 168.98 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.945 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 88.54 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -91.81 82.64 5.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.55 169.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 65.3 1.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttp -154.88 106.91 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 0.733 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.86 122.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 -70.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.71 160.77 18.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 ' CG ' ' A' ' 18' ' ' ASN . 74.6 t -60.34 135.65 91.41 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.52 2.27 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -102.94 -25.36 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.1 mtp -106.11 165.68 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.655 HG22 ' CD2' ' A' ' 19' ' ' LEU . 8.6 mt -120.8 119.69 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.644 ' CG ' HG21 ' A' ' 12' ' ' VAL . 9.8 t30 -77.03 122.38 24.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 17' ' ' ILE . 2.3 mm? -113.16 140.38 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD3' HG21 ' A' ' 28' ' ' THR . 1.8 ttm180 -102.43 107.87 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 95' ' ' LEU . 3.3 mm? -89.83 105.72 17.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 HG13 ' A' ' 92' ' ' VAL . 24.2 mt -91.91 139.9 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD1' HG13 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -174.39 -146.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 25' ' ' SER . 14.3 m 37.21 -143.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.588 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -84.97 46.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 96.07 -50.96 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -37.83 129.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 20' ' ' ARG . 9.0 t -121.26 164.59 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.89 174.39 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.46 124.45 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.26 178.15 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -132.15 135.8 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 64.5 m-85 -141.68 165.46 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 157.68 33.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.3 Cg_endo -74.96 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -106.49 -0.65 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -88.17 141.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' THR . 69.1 p -96.77 166.85 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.97 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -44.61 -55.31 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.18 -42.69 30.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 93.4 mt -66.95 -69.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.28 -49.17 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -64.36 -53.74 43.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -39.75 -55.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 69.1 t -44.04 -51.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.5 -54.46 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.3 -37.88 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -74.56 -80.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.673 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 29.8 m0 -44.97 105.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.28 6.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.84 176.29 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.21 146.4 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' HZ2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -48.61 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.983 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -126.67 175.8 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.67 110.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.41 -179.63 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -176.69 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 60' ' ' SER . 5.8 m -39.85 -59.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.606 ' H ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER 39.36 82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -131.63 150.42 76.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.0 17.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -71.09 -17.91 62.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.75 45.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -148.29 102.54 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -109.95 128.91 55.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -103.82 123.77 47.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 72' ' ' ARG . 3.8 mp -94.36 139.1 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' CG ' ' HE2' ' A' ' 93' ' ' MET . 3.5 t80 -140.98 119.32 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 67.96 9.92 7.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.74 -40.31 2.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 ptm180 -79.06 -177.99 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.8 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD2' HG13 ' A' ' 68' ' ' ILE . 55.4 m-85 -114.84 149.29 37.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD12 HD21 ' A' ' 67' ' ' LEU . 69.3 mt -105.56 148.56 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -71.56 161.24 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.624 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.45 -22.34 67.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' THR . 1.2 t30 -90.08 -19.2 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 75' ' ' HIS . 3.4 t -54.42 148.76 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASN . 38.7 p -137.51 139.5 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 17' ' ' ILE . 26.8 mt -39.38 -36.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -59.18 -50.92 62.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.34 -20.56 65.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 84' ' ' LYS . 82.7 mt -88.08 0.91 55.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.51 43.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -68.55 150.52 97.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.26 18.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -77.94 164.05 25.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.561 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 52.25 32.95 37.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 1.2 mmtm -126.9 178.88 5.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 80.3 m -125.25 123.5 39.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -107.8 152.81 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 22' ' ' ILE . 71.6 t -106.41 129.36 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' HD12 ' A' ' 19' ' ' LEU . 53.6 mtt -150.28 148.27 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -105.82 149.97 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -115.4 144.8 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.63 ' H ' HD23 ' A' ' 95' ' ' LEU . 34.2 m -155.91 169.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.75 43.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 169.08 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -138.2 -74.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 p -76.35 -161.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.57 154.72 78.83 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.96 34.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.06 158.11 10.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -29.33 8.38 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.07 105.95 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -178.49 103.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -160.42 158.73 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 178.6 83.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -147.21 159.53 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.74 162.84 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.1 t -107.54 -60.05 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.89 97.83 2.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.97 17.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -112.97 164.84 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.9 m -107.22 128.95 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.63 81.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.07 159.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 72.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.078 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -122.91 100.63 6.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.053 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -89.88 112.29 23.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 130.47 3.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -53.67 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.4 100.1 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 t -99.08 89.93 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.92 163.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG ' ' A' ' 18' ' ' ASN . 76.9 t -62.01 137.42 95.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.97 -176.86 3.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -102.24 3.8 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -104.01 -24.43 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mtp -105.83 169.2 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.723 HG22 ' CD2' ' A' ' 19' ' ' LEU . 7.7 mt -125.17 116.1 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.656 ' CG ' HG21 ' A' ' 12' ' ' VAL . 8.4 t30 -75.83 126.57 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -117.95 139.53 51.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -101.69 107.84 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.1 mm? -88.58 106.7 18.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.939 HD12 ' CE1' ' A' ' 94' ' ' HIS . 23.7 mt -93.23 145.7 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' CD2' ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER -92.04 -74.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.6 m -127.46 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.46 37.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.21 -120.36 0.75 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.56 136.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -149.08 160.35 43.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 135.6 50.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -83.94 131.25 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 21' ' ' LEU . 10.4 m-85 -122.5 -173.76 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 HG13 ' A' ' 12' ' ' VAL . 3.1 mt -140.18 137.29 34.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 66.5 m-85 -146.37 160.17 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.54 162.52 21.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -96.42 -10.63 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.38 147.76 27.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -104.06 178.98 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.85 -49.13 78.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -45.73 -58.34 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -48.89 -48.77 42.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 95.7 mt -58.92 -71.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.803 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -39.96 -58.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.46 -59.33 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.26 -67.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 21' ' ' LEU . 47.3 t -40.69 -62.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -49.82 -51.43 39.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.35 -57.02 12.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 38.5 m-80 -93.06 95.39 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 173.76 137.89 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.0 -53.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.1 mmt -121.76 125.75 47.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.595 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 21.3 m-20 -102.41 -63.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -160.04 147.71 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.34 46.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.15 71.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.26 170.88 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -173.59 38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.31 178.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.21 31.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -113.1 132.59 22.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.627 ' O ' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 -6.37 17.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -71.71 -23.9 61.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.25 67.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -130.16 161.02 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.79 ' N ' HD22 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -163.49 133.45 4.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -119.92 129.83 54.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 73' ' ' PHE . 23.6 mt -98.81 135.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 3.1 t80 -136.2 118.84 15.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 67.71 8.23 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.73 -41.21 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ILE . 3.3 ptt180 -78.84 176.25 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 68' ' ' ILE . 21.4 m-85 -111.11 142.04 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 67' ' ' LEU . 96.6 mt -96.57 152.95 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.89 161.2 31.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.71 -23.95 66.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -85.4 -26.6 26.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -47.27 148.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 77' ' ' ASN . 2.9 p -139.16 135.36 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 17' ' ' ILE . 39.5 mt -40.05 -38.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -57.07 -49.91 68.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.53 -28.38 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 84' ' ' LYS . 91.4 mt -77.83 -0.76 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 32.17 47.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -73.26 151.18 89.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.16 22.65 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.1 m-85 -80.22 169.87 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.34 33.44 11.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -128.01 179.03 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.3 m -127.32 125.93 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m -108.85 147.09 32.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 64.4 t -101.66 127.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 67' ' ' LEU . 64.4 mtt -153.51 147.43 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.939 ' CE1' HD12 ' A' ' 22' ' ' ILE . 25.3 m80 -106.92 157.12 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -108.74 146.64 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.689 ' H ' HD23 ' A' ' 95' ' ' LEU . 8.8 m -151.94 176.42 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.19 116.34 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -179.14 156.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.11 -72.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 8.8 t -174.25 -149.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.4 OUTLIER -77.95 157.35 79.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.9 5.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.71 155.86 38.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -32.52 5.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t30 64.91 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 t -173.83 114.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.09 120.63 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.2 110.88 0.42 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.99 139.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -158.56 147.97 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -171.36 154.29 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -164.11 150.17 18.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 p -142.22 162.98 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.0 m -81.64 163.55 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -162.08 87.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -171.88 -58.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 -161.06 25.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.92 88.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 63.02 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -174.23 38.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -113.45 -56.6 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.32 157.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.59 121.19 22.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -154.95 149.76 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.543 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA2' ' A' ' 88' ' ' GLY . 98.7 t -83.88 135.3 42.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.93 -177.43 3.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -104.29 3.12 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.52 -25.23 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.76 165.64 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.6 mt -120.96 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.1 t30 -82.9 121.56 27.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 93' ' ' MET . 2.1 mm? -115.07 130.73 57.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -96.16 107.91 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD23 ' HD2' ' A' ' 31' ' ' PHE . 2.8 mm? -88.72 105.73 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 92' ' ' VAL . 32.9 mt -96.61 141.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.17 -67.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.8 m -133.8 75.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 m 39.06 40.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . -156.7 -121.94 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLY . 4.6 mttp -40.31 128.67 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 21' ' ' LEU . 8.5 t -144.02 162.62 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.42 133.79 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -80.84 124.8 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HD2' HD23 ' A' ' 21' ' ' LEU . 9.4 m-85 -117.38 175.29 5.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.46 135.13 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.666 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 61.6 m-85 -143.71 158.98 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 163.64 17.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' GLY . 18.2 Cg_endo -75.04 -7.44 19.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.41 -28.14 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 152.7 37.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 79' ' ' THR . 76.7 p -108.81 168.4 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.629 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . . . -46.84 -43.87 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 67.9 m-20 -40.71 -47.91 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 62.7 mt -57.36 -75.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 65' ' ' LEU . . . -40.92 -61.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -59.8 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 6.0 t60 -40.34 -61.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -40.68 -63.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -54.5 -54.03 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -48.45 -53.92 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.587 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 27.2 m-80 -98.52 93.16 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 176.96 162.04 0.5 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.02 41.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 106.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.72 132.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CD1' ' N ' ' A' ' 55' ' ' GLU . 15.7 t-105 -173.4 163.99 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' N ' ' CD1' ' A' ' 54' ' ' TRP . 3.0 tt0 -103.84 77.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.7 mp0 -56.03 -64.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.2 tt0 80.99 -64.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.72 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 56' ' ' GLU . 26.8 m -140.65 151.83 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -153.23 32.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -107.83 151.04 41.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.27 16.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.82 93.96 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.424 HD13 ' HB ' ' A' ' 59' ' ' VAL . 1.4 pt -147.01 -46.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.66 165.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.86 144.44 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -108.91 128.34 54.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 72' ' ' ARG . 4.4 mp -103.97 139.15 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 93' ' ' MET . 16.9 t80 -137.07 117.01 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 59.89 28.38 17.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.66 5.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 68' ' ' ILE . 13.2 mtp180 -80.24 -177.16 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' CD2' HG13 ' A' ' 68' ' ' ILE . 49.9 m-85 -122.04 144.5 48.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 HD21 ' A' ' 67' ' ' LEU . 95.0 mt -102.03 149.13 24.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -72.33 161.18 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 39' ' ' ALA . . . -74.54 -29.02 62.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 79' ' ' THR . 0.4 OUTLIER -82.57 -30.76 29.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 75' ' ' HIS . 6.6 t -44.87 148.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 38' ' ' SER . 44.9 p -137.23 138.35 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 39.4 mt -39.92 -34.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -58.69 -50.3 68.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -65.15 -19.94 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 84' ' ' LYS . 85.7 mt -89.56 -1.09 57.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.29 42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -66.87 151.68 96.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.73 13.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -73.7 173.48 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' HA2' HG12 ' A' ' 12' ' ' VAL . . . 44.6 40.24 6.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -133.22 177.75 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.3 m -126.94 129.49 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.427 HG21 ' HE3' ' A' ' 93' ' ' MET . 18.7 m -115.11 150.29 36.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 79.1 t -107.3 123.68 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 67' ' ' LEU . 59.1 mtt -144.1 145.44 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' CE1' HD12 ' A' ' 22' ' ' ILE . 24.7 m80 -106.17 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 96' ' ' VAL . 1.5 tt -118.13 148.24 42.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.787 ' H ' HD23 ' A' ' 95' ' ' LEU . 19.6 m -150.5 173.53 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.08 104.35 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -179.42 114.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 9.9 t -172.34 -148.36 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.7 OUTLIER -75.31 152.24 85.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 57.1 4.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -140.87 159.46 62.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.21 5.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -49.34 133.06 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -64.35 138.53 58.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -110.63 117.6 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.22 92.62 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.64 153.29 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p 61.0 104.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 160.24 76.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.3 t 51.03 83.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -105.3 -58.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -58.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 66.54 116.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.93 68.04 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 133.18 35.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.0 100.2 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.77 73.37 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.77 163.46 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 171.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 87.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -92.1 173.85 7.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 13' ' ' PRO . 61.4 t -42.43 138.05 2.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -174.42 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 87' ' ' PHE . . . -106.36 5.37 29.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -106.51 -22.54 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.0 mtp -109.23 159.85 16.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 19' ' ' LEU . 3.3 mt -119.2 124.42 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -83.19 120.24 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.578 ' CD2' HG22 ' A' ' 17' ' ' ILE . 3.4 mm? -112.3 129.65 56.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 1.2 ttt180 -94.67 108.35 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -88.73 124.0 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.457 HD11 HG13 ' A' ' 92' ' ' VAL . 3.5 mt -116.67 155.74 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG23 ' N ' ' A' ' 25' ' ' SER . 3.1 m -60.6 -152.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -89.57 37.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' LYS . . . 123.1 -56.13 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -40.24 151.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 20' ' ' ARG . 2.2 t -144.49 163.53 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.66 127.85 52.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -80.64 126.08 30.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -117.1 -178.11 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.71 133.99 45.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG23 ' A' ' 42' ' ' ILE . 37.0 m-85 -144.1 160.87 40.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 164.28 15.45 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.86 16.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -99.45 -16.94 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.12 147.11 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 79' ' ' THR . 22.5 p -107.95 150.64 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.27 -37.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.8 p -58.74 -61.83 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -41.88 -60.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 12.6 mt -48.92 -64.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.88 -54.4 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -57.7 -54.7 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -39.84 -65.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.556 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.605 ' CG1' ' CZ3' ' A' ' 50' ' ' TRP . 94.6 t -40.23 -63.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.88 -51.42 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -51.88 -55.03 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 24.6 m-80 -97.29 95.21 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.605 ' CZ3' ' CG1' ' A' ' 46' ' ' VAL . 1.6 m0 170.46 120.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.19 2.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.809 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.28 83.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.65 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -83.11 101.01 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.37 132.79 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.09 -70.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' OE1' ' NH1' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -127.4 -43.17 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -171.46 -44.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.68 155.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -155.56 24.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -89.25 143.94 31.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.02 -17.94 19.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 65' ' ' LEU . 68.3 m-80 -67.96 -71.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ASN . 1.1 pt -40.01 -31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 63' ' ' ASN . 0.3 OUTLIER -63.79 99.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.1 141.52 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -95.03 130.91 41.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -101.65 136.63 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 2.6 t80 -132.86 120.28 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 58.07 28.83 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.55 -33.17 6.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.9 mtt180 -79.59 177.89 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' CD2' HG13 ' A' ' 68' ' ' ILE . 13.0 m-85 -119.41 135.69 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 93' ' ' MET . 95.0 mt -95.41 149.21 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' HB3' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.21 159.08 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.83 -23.47 72.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -88.53 -20.32 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.236 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -56.66 149.03 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 38' ' ' SER . 69.1 p -137.66 139.6 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' HB3' HD13 ' A' ' 17' ' ' ILE . 68.0 mt -40.35 -29.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 79' ' ' THR . . . -63.9 -54.75 28.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.27 -18.3 57.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 84' ' ' LYS . 58.6 mt -90.47 -1.43 57.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER 31.21 46.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -68.06 151.18 97.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.94 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 14' ' ' ALA . 22.9 m-85 -74.87 173.75 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.34 9.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.86 178.18 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -124.63 117.65 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -102.28 149.76 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG13 HD11 ' A' ' 22' ' ' ILE . 79.6 t -107.03 131.05 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 67' ' ' LEU . 52.0 mtt -151.75 149.35 28.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' NE2' HD13 ' A' ' 22' ' ' ILE . 13.4 m170 -109.62 164.81 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -135.11 142.58 46.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.67 HG22 ' CD1' ' A' ' 68' ' ' ILE . 34.5 m -150.33 165.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -129.97 120.62 25.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 2.6 tpt180 -177.81 146.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' C ' HG23 ' A' ' 100' ' ' THR . 2.6 tt0 -88.51 -108.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.531 HG23 ' C ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER 54.95 166.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.08 154.09 71.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.52 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -128.06 159.01 69.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.56 10.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -127.74 160.52 31.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.1 t -167.83 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -122.2 145.26 48.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.68 112.76 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -161.55 136.85 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.63 133.13 44.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.03 147.65 42.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.14 122.27 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.0 p -157.23 166.16 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.6 143.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.956 . . . . . . . . 0 0 . 1 stop_ save_